[(4-nitrophenyl)carbonylamino] 3-(phenylmethyl)iminobutanoate

Systemtic Name: [(4-nitrophenyl)carbonylamino] 3-(phenylmethyl)iminobutanoate Openeye Name: [(4-nitrobenzoyl)amino] 3-benzyliminobutanoate CAS Name: 3-(phenylmethyl)iminobutanoic acid [[(4-nitrophenyl)-oxomethyl]amino] ester IUPAC Name: [(4-nitrobenzoyl)amino] 3-benzyliminobutanoate Traditional Name: 3-benzyliminobutyric acid [(4-nitrobenzoyl)amino] ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCC1=CC=CC=C1)CC(=O)ONC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=NCC1=CC=CC=C1)CC(=O)ONC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

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/h2-10H,11-12H2,1H3,(H,20,23)