[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H15N5O8 MolecularWeight: 441.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O8/c20-10-13-9-15(24(30)31)5-6-16(13)22-17(25)11-32-18(26)7-8-21-19(27)12-1-3-14(4-2-12)23(28)29/h1-6,9H,7-8,11H2,(H,21,27)(H,22,25)