2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-(4-methylphenyl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-(4-methylphenyl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[2-(4-bromophenyl)-2-oxo-ethyl]-(p-tolyl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[(N-[2-(4-bromophenyl)-2-oxoethyl]-4-methylanilino)-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]-(4-methylphenyl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]-(p-tolyl)carbamoyl]-6-nitro-benzoic acid Formula: C23H17BrN2O6 MolecularWeight: 497.29488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)Br)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)Br)C(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H17BrN2O6/c1-14-5-11-17(12-6-14)25(13-20(27)15-7-9-16(24)10-8-15)22(28)18-3-2-4-19(26(31)32)21(18)23(29)30/h2-12H,13H2,1H3,(H,29,30)