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

Systemtic Name: methyl 3-azanyl-5-bromanyl-2-methyl-benzoate Openeye Name: methyl 3-amino-5-bromo-2-methyl-benzoate CAS Name: 3-amino-5-bromo-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-amino-5-bromo-2-methylbenzoate Traditional Name: 3-amino-5-bromo-2-methyl-benzoic acid methyl ester Formula: C9H10BrNO2 MolecularWeight: 244.0852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OC)Br)N

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OC)Br)N

InChI

InChI=1S/C9H10BrNO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,11H2,1-2H3