2-[(4-bromanyl-3-methyl-phenyl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)amino]-5-nitro-benzoic acid Openeye Name: 2-(4-bromo-3-methyl-anilino)-5-nitro-benzoic acid CAS Name: 2-(4-bromo-3-methylanilino)-5-nitrobenzoic acid IUPAC Name: 2-(4-bromo-3-methylanilino)-5-nitrobenzoic acid Traditional Name: 2-(4-bromo-3-methyl-anilino)-5-nitro-benzoic acid Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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