Summary

Molecular formula: C18H19NO6
SMILES: C/C(=CCc1c(O)cc2c(c1O)C(=O)NC2=O)/CC/C=C(/C(=O)O)C
InChI: InChI=1S/C18H19NO6/c1-9(4-3-5-10(2)18(24)25)6-7-11-13(20)8-12-14(15(11)21)17(23)19-16(12)22/h5-6,8,20-21H,3-4,7H2,1-2H3,(H,24,25)(H,19,22,23)/b9-6+,10-5+
InChIKey: UCVWIZICIZWNPQ-TXFIJWAUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NC(=O)c2ccccc21

Scaffold Graph/Node level:
OC1NC(O)C2CCCCC12

Scaffold Graph level:
CC1CC(C)C2CCCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Isoindoles and derivatives
Sub class: Isoindolines

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Synonymous chemical names:
erinacerin s

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External chemical identifiers:
CID_132599517; NPATLAS_NPA003724; CHEMSPIDER_78434676

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Chemical structure download