[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC=CN2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)C2=CC=CN2)Cl)N

InChI

InChI=1S/C14H13ClN2O4/c1-20-13-6-10(16)9(15)5-8(13)14(19)21-7-12(18)11-3-2-4-17-11/h2-6,17H,7,16H2,1H3