[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c21-10-5-11-23(16-7-2-1-3-8-16)18(25)14-30-19(26)13-22-20(27)15-6-4-9-17(12-15)24(28)29/h1-4,6-9,12H,5,11,13-14H2,(H,22,27)