3-azanyl-5-bromanyl-4-methyl-2-nitro-benzoic acid

Systemtic Name: 3-azanyl-5-bromanyl-4-methyl-2-nitro-benzoic acid Openeye Name: 3-amino-5-bromo-4-methyl-2-nitro-benzoic acid CAS Name: 3-amino-5-bromo-4-methyl-2-nitrobenzoic acid IUPAC Name: 3-amino-5-bromo-4-methyl-2-nitrobenzoic acid Traditional Name: 3-amino-5-bromo-4-methyl-2-nitro-benzoic acid Formula: C8H7BrN2O4 MolecularWeight: 275.05618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1N)[N+](=O)[O-])C(=O)O)Br

Isomeric SMILES

CC1=C(C=C(C(=C1N)[N+](=O)[O-])C(=O)O)Br

InChI

InChI=1S/C8H7BrN2O4/c1-3-5(9)2-4(8(12)13)7(6(3)10)11(14)15/h2H,10H2,1H3,(H,12,13)