[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-2-7-19(17-9-4-3-5-10-17)22-20(24)15-28-21(25)13-12-16-8-6-11-18(14-16)23(26)27/h3-6,8-14,19H,2,7,15H2,1H3,(H,22,24)/b13-12+/t19-/m1/s1