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

Systemtic Name: 4-[(4-bromanyl-2-methyl-phenyl)amino]-3-nitro-benzoate Openeye Name: 4-(4-bromo-2-methyl-anilino)-3-nitro-benzoate CAS Name: 4-(4-bromo-2-methylanilino)-3-nitrobenzoate IUPAC Name: 4-(4-bromo-2-methylanilino)-3-nitrobenzoate Traditional Name: 4-(4-bromo-2-methyl-anilino)-3-nitro-benzoate Formula: C14H10BrN2O4- MolecularWeight: 350.1442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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