ethyl 4-[ethanoyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]amino]benzoate

Systemtic Name: ethyl 4-[ethanoyl-[[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]amino]benzoate Openeye Name: ethyl 4-[acetyl-[(5-nitro-1,3-dioxo-isoindolin-2-yl)methyl]amino]benzoate CAS Name: 4-[acetyl-[(5-nitro-1,3-dioxo-2-isoindolyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[acetyl-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]amino]benzoate Traditional Name: 4-[acetyl-[(1,3-diketo-5-nitro-isoindolin-2-yl)methyl]amino]benzoic acid ethyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C20H17N3O7/c1-3-30-20(27)13-4-6-14(7-5-13)21(12(2)24)11-22-18(25)16-9-8-15(23(28)29)10-17(16)19(22)26/h4-10H,3,11H2,1-2H3