[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C19H18N4O5/c20-9-4-10-21-18(24)13-28-19(25)16-11-15(23(26)27)7-8-17(16)22-12-14-5-2-1-3-6-14/h1-3,5-8,11,22H,4,10,12-13H2,(H,21,24)