[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 4-chloro-1-methyl-pyrrole-2-carboxylate CAS Name: 4-chloro-1-methyl-2-pyrrolecarboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-chloro-1-methylpyrrole-2-carboxylate Traditional Name: 4-chloro-1-methyl-pyrrole-2-carboxylic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)NCC2=CC(=CC=C2)OC)Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)NCC2=CC(=CC=C2)OC)Cl

InChI

InChI=1S/C16H17ClN2O4/c1-19-9-12(17)7-14(19)16(21)23-10-15(20)18-8-11-4-3-5-13(6-11)22-2/h3-7,9H,8,10H2,1-2H3,(H,18,20)