4-[(2-bromanyl-4-nitro-phenyl)amino]-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-bromanyl-4-nitro-phenyl)amino]-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-bromo-4-nitro-anilino)-3-[(4-methoxyphenyl)methyl]-4-oxo-butanoic acid CAS Name: 4-(2-bromo-4-nitroanilino)-3-[(4-methoxyphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(2-bromo-4-nitroanilino)-3-[(4-methoxyphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(2-bromo-4-nitro-anilino)-4-keto-3-p-anisyl-butyric acid Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=C(C=C1)CC(CC(=O)O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H17BrN2O6/c1-27-14-5-2-11(3-6-14)8-12(9-17(22)23)18(24)20-16-7-4-13(21(25)26)10-15(16)19/h2-7,10,12H,8-9H2,1H3,(H,20,24)(H,22,23)