[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C18H15BrN2O5 MolecularWeight: 419.2261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O5/c1-12-15(3-2-4-16(12)21(24)25)20-17(22)11-26-18(23)10-7-13-5-8-14(19)9-6-13/h2-10H,11H2,1H3,(H,20,22)/b10-7+