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

Systemtic Name: 2-[(2-bromanyl-4-methyl-phenyl)amino]-5-nitro-benzoate Openeye Name: 2-(2-bromo-4-methyl-anilino)-5-nitro-benzoate CAS Name: 2-(2-bromo-4-methylanilino)-5-nitrobenzoate IUPAC Name: 2-(2-bromo-4-methylanilino)-5-nitrobenzoate Traditional Name: 2-(2-bromo-4-methyl-anilino)-5-nitro-benzoate Formula: C14H10BrN2O4- MolecularWeight: 350.1442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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