[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-3-8-20(18-10-5-4-6-11-18)23-22(26)16(2)29-21(25)14-13-17-9-7-12-19(15-17)24(27)28/h4-7,9-16,20H,3,8H2,1-2H3,(H,23,26)/b14-13+