[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C19H18N4O6/c20-12-13-3-1-2-4-16(13)22-18(25)7-10-29-19(26)15-11-14(23(27)28)5-6-17(15)21-8-9-24/h1-6,11,21,24H,7-10H2,(H,22,25)