[2-oxidanylidene-2-[[(2S)-2-phenylbutyl]amino]ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylbutyl]amino]ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-keto-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)COC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-2-17(18-6-4-3-5-7-18)14-22-20(24)15-28-21(25)13-10-16-8-11-19(12-9-16)23(26)27/h3-13,17H,2,14-15H2,1H3,(H,22,24)/b13-10+/t17-/m1/s1