[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-(3-nitrophenyl)prop-2-enoate CAS Name: 3-(3-nitrophenyl)-2-propenoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-(3-nitrophenyl)prop-2-enoate Traditional Name: 3-(3-nitrophenyl)acrylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c21-17(19-12-15-5-2-1-3-6-15)13-25-18(22)10-9-14-7-4-8-16(11-14)20(23)24/h1-11H,12-13H2,(H,19,21)