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

Systemtic Name: [1-[(2,3-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(2,3-dimethylanilino)-1-methyl-2-oxo-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(2,3-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C)OC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C)OC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N2O5/c1-13-6-4-9-18(14(13)2)21-20(24)15(3)27-19(23)11-10-16-7-5-8-17(12-16)22(25)26/h4-12,15H,1-3H3,(H,21,24)/b11-10+