Summary

Molecular formula: C16H17NO6
SMILES: COC(=O)CC/C(=C/Cc1c(O)cc2c(c1O)C(=O)NC2=O)/C
InChI: InChI=1S/C16H17NO6/c1-8(4-6-12(19)23-2)3-5-9-11(18)7-10-13(14(9)20)16(22)17-15(10)21/h3,7,18,20H,4-6H2,1-2H3,(H,17,21,22)/b8-3+
InChIKey: MOBXTHUEHJFZOU-FPYGCLRLSA-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 t

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External chemical identifiers:
CID_132599518; NPATLAS_NPA005091; CHEMSPIDER_78434718

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Chemical structure download