2,3-bis(bromanyl)-4-[(2-methoxy-3-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,3-bis(bromanyl)-4-[(2-methoxy-3-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,3-dibromo-4-(2-methoxy-3-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2,3-dibromo-4-(2-methoxy-3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2,3-dibromo-4-(2-methoxy-3-nitroanilino)-4-oxobutanoic acid Traditional Name: 2,3-dibromo-4-keto-4-(2-methoxy-3-nitro-anilino)butyric acid Formula: C11H10Br2N2O6 MolecularWeight: 426.0149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C(C(=O)O)Br)Br

Isomeric SMILES

COC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C(C(=O)O)Br)Br

InChI

InChI=1S/C11H10Br2N2O6/c1-21-9-5(3-2-4-6(9)15(19)20)14-10(16)7(12)8(13)11(17)18/h2-4,7-8H,1H3,(H,14,16)(H,17,18)