4-[(2-bromanyl-4-methyl-phenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[(2-bromanyl-4-methyl-phenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(2-bromo-4-methyl-anilino)-3-nitro-benzoic acid CAS Name: 4-(2-bromo-4-methylanilino)-3-nitrobenzoic acid IUPAC Name: 4-(2-bromo-4-methylanilino)-3-nitrobenzoic acid Traditional Name: 4-(2-bromo-4-methyl-anilino)-3-nitro-benzoic acid Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C14H11BrN2O4/c1-8-2-4-11(10(15)6-8)16-12-5-3-9(14(18)19)7-13(12)17(20)21/h2-7,16H,1H3,(H,18,19)