2-[(4-bromanyl-2-methyl-phenyl)amino]-5-nitro-benzoate

Systemtic Name: 2-[(4-bromanyl-2-methyl-phenyl)amino]-5-nitro-benzoate Openeye Name: 2-(4-bromo-2-methyl-anilino)-5-nitro-benzoate CAS Name: 2-(4-bromo-2-methylanilino)-5-nitrobenzoate IUPAC Name: 2-(4-bromo-2-methylanilino)-5-nitrobenzoate Traditional Name: 2-(4-bromo-2-methyl-anilino)-5-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)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

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

InChI

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