methyl 4-azanyl-3-pyrrol-1-yl-benzoate

Systemtic Name: methyl 4-azanyl-3-pyrrol-1-yl-benzoate Openeye Name: methyl 4-amino-3-pyrrol-1-yl-benzoate CAS Name: 4-amino-3-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-pyrrol-1-ylbenzoate Traditional Name: 4-amino-3-pyrrol-1-yl-benzoic acid methyl ester Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)N2C=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)N2C=CC=C2

InChI

InChI=1S/C12H12N2O2/c1-16-12(15)9-4-5-10(13)11(8-9)14-6-2-3-7-14/h2-8H,13H2,1H3