[4-[(E)-2-nitroethenyl]phenyl] 5-oxidanylidene-5-[(phenylmethyl)amino]pentanoate

Systemtic Name: [4-[(E)-2-nitroethenyl]phenyl] 5-oxidanylidene-5-[(phenylmethyl)amino]pentanoate Openeye Name: [4-[(E)-2-nitrovinyl]phenyl] 5-(benzylamino)-5-oxo-pentanoate CAS Name: 5-oxo-5-[(phenylmethyl)amino]pentanoic acid [4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-nitroethenyl]phenyl] 5-(benzylamino)-5-oxopentanoate Traditional Name: 5-(benzylamino)-5-keto-valeric acid [4-[(E)-2-nitrovinyl]phenyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCCC(=O)OC2=CC=C(C=C2)C=C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCCC(=O)OC2=CC=C(C=C2)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c23-19(21-15-17-5-2-1-3-6-17)7-4-8-20(24)27-18-11-9-16(10-12-18)13-14-22(25)26/h1-3,5-6,9-14H,4,7-8,15H2,(H,21,23)/b14-13+