[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-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-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O5/c1-4-14(2)17-7-5-6-8-19(17)24-22(27)15(3)30-21(26)12-10-16-9-11-18(23)20(13-16)25(28)29/h5-15H,4H2,1-3H3,(H,24,27)/b12-10+