methyl 2-azanyl-5-bromanyl-6-methyl-3-nitro-benzoate

Systemtic Name: methyl 2-azanyl-5-bromanyl-6-methyl-3-nitro-benzoate Openeye Name: methyl 2-amino-5-bromo-6-methyl-3-nitro-benzoate CAS Name: 2-amino-5-bromo-6-methyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-amino-5-bromo-6-methyl-3-nitrobenzoate Traditional Name: 2-amino-5-bromo-6-methyl-3-nitro-benzoic acid methyl ester Formula: C9H9BrN2O4 MolecularWeight: 289.08276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)OC)N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)OC)N)[N+](=O)[O-])Br

InChI

InChI=1S/C9H9BrN2O4/c1-4-5(10)3-6(12(14)15)8(11)7(4)9(13)16-2/h3H,11H2,1-2H3