[1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-[(4-methoxycarbonylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxycarbonylphenyl)methylamino]-1-oxopropan-2-yl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H17ClN2O5 MolecularWeight: 364.78028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)OC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)OC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C17H17ClN2O5/c1-10(25-17(23)14-7-13(18)9-19-14)15(21)20-8-11-3-5-12(6-4-11)16(22)24-2/h3-7,9-10,19H,8H2,1-2H3,(H,20,21)