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2-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]isoindole-1,3-dione
2-[(E,2Z)-4-ethyl-2-hydroxyimino-5-nitro-hex-3-enyl]isoindole-1,3-dione
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Descriptors Computed from Structure
Canonical SMILES:
CCC(=CC(=NO)CN1C(=O)C2=CC=CC=C2C1=O)C(C)[N+](=O)[O-]
Isomeric SMILES
CC/C(=C\C(=N\O)\CN1C(=O)C2=CC=CC=C2C1=O)/C(C)[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O5/c1-3-11(10(2)19(23)24)8-12(17-22)9-18-15(20)13-6-4-5-7-14(13)16(18)21/h4-8,10,22H,3,9H2,1-2H3/b11-8+,17-12-
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- 3-(3-hydroxyphenyl)propanoic acid
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- [(Z)-4-ethyl-5-nitro-hex-3-enyl] N-nitrosocarbamate
