[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-2-18(20(24)21-14-16-7-4-3-5-8-16)27-19(23)12-11-15-9-6-10-17(13-15)22(25)26/h3-13,18H,2,14H2,1H3,(H,21,24)/b12-11+/t18-/m0/s1