(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C15H12BrClN2O4 MolecularWeight: 399.62378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C15H12BrClN2O4/c1-8-5-10(16)7-11(17)14(8)23-15(20)9-3-4-12(18-2)13(6-9)19(21)22/h3-7,18H,1-2H3