[(4-nitrophenyl)carbonylamino] (Z)-3-[(phenylmethyl)amino]but-2-enoate

Systemtic Name: [(4-nitrophenyl)carbonylamino] (Z)-3-[(phenylmethyl)amino]but-2-enoate Openeye Name: [(4-nitrobenzoyl)amino] (Z)-3-(benzylamino)but-2-enoate CAS Name: (Z)-3-[(phenylmethyl)amino]-2-butenoic acid [[(4-nitrophenyl)-oxomethyl]amino] ester IUPAC Name: [(4-nitrobenzoyl)amino] (Z)-3-(benzylamino)but-2-enoate Traditional Name: (Z)-3-(benzylamino)but-2-enoic acid [(4-nitrobenzoyl)amino] ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)ONC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

C/C(=C/C(=O)ONC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/NCC2=CC=CC=C2

InChI

InChI=1S/C18H17N3O5/c1-13(19-12-14-5-3-2-4-6-14)11-17(22)26-20-18(23)15-7-9-16(10-8-15)21(24)25/h2-11,19H,12H2,1H3,(H,20,23)/b13-11-