2-[phenyl-(phenylmethyl)amino]ethyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: 2-[phenyl-(phenylmethyl)amino]ethyl (E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: 2-(N-benzylanilino)ethyl (E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(3-nitrophenyl)-3-oxo-4-pentenoic acid 2-(N-(phenylmethyl)anilino)ethyl ester IUPAC Name: 2-(N-benzylanilino)ethyl (E)-5-(3-nitrophenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(3-nitrophenyl)pent-4-enoic acid 2-(N-benzylanilino)ethyl ester Formula: C26H24N2O5 MolecularWeight: 444.47916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCOC(=O)CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN(CCOC(=O)CC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C26H24N2O5/c29-25(15-14-21-10-7-13-24(18-21)28(31)32)19-26(30)33-17-16-27(23-11-5-2-6-12-23)20-22-8-3-1-4-9-22/h1-15,18H,16-17,19-20H2/b15-14+