methyl 2-azanyl-4-bromanyl-benzoate; methyl 2-azanyl-5-bromanyl-benzoate

Systemtic Name: methyl 2-azanyl-4-bromanyl-benzoate; methyl 2-azanyl-5-bromanyl-benzoate Openeye Name: methyl 2-amino-4-bromo-benzoate; methyl 2-amino-5-bromo-benzoate CAS Name: 2-amino-4-bromobenzoic acid methyl ester; 2-amino-5-bromobenzoic acid methyl ester IUPAC Name: methyl 2-amino-4-bromobenzoate; methyl 2-amino-5-bromobenzoate Traditional Name: 2-amino-4-bromo-benzoic acid methyl ester; 2-amino-5-bromo-benzoic acid methyl ester Formula: C16H16Br2N2O4 MolecularWeight: 460.11724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Br)N.COC(=O)C1=C(C=CC(=C1)Br)N

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Br)N.COC(=O)C1=C(C=CC(=C1)Br)N

InChI

InChI=1S/2C8H8BrNO2/c1-12-8(11)6-4-5(9)2-3-7(6)10;1-12-8(11)6-3-2-5(9)4-7(6)10/h2*2-4H,10H2,1H3