[1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (E)-pent-2-enoate

Systemtic Name: [1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (E)-pent-2-enoate Openeye Name: [2-(benzylamino)-1-(4-nitrophenyl)-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [1-(4-nitrophenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-1-(4-nitrophenyl)-2-oxoethyl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [2-(benzylamino)-2-keto-1-(4-nitrophenyl)ethyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c1-2-3-9-18(23)27-19(16-10-12-17(13-11-16)22(25)26)20(24)21-14-15-7-5-4-6-8-15/h3-13,19H,2,14H2,1H3,(H,21,24)/b9-3+