[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)N(CC#N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c21-10-11-23(16-4-2-1-3-5-16)19(25)13-29-20(26)14-6-9-17(22-15-7-8-15)18(12-14)24(27)28/h1-6,9,12,15,22H,7-8,11,13H2