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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c23-18(20-11-13-4-2-1-3-5-13)12-27-19(24)14-6-9-16(21-15-7-8-15)17(10-14)22(25)26/h1-6,9-10,15,21H,7-8,11-12H2,(H,20,23)