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

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-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-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-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/c1-2-8-18(16-9-4-3-5-10-16)22-20(24)15-28-21(25)14-13-17-11-6-7-12-19(17)23(26)27/h3-7,9-14,18H,2,8,15H2,1H3,(H,22,24)/b14-13+/t18-/m1/s1