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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-4-15(2)19-10-5-6-11-20(19)23-22(26)16(3)29-21(25)13-12-17-8-7-9-18(14-17)24(27)28/h5-16H,4H2,1-3H3,(H,23,26)/b13-12+