methyl 5-[(4-ethylphenyl)methyl]-2-methyl-4-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(4-ethylphenyl)methyl]-2-methyl-4-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl 5-[(4-ethylphenyl)methyl]-2-methyl-4-oxo-pyrrole-3-carboxylate CAS Name: 5-[(4-ethylphenyl)methyl]-2-methyl-4-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-ethylphenyl)methyl]-2-methyl-4-oxopyrrole-3-carboxylate Traditional Name: 5-(4-ethylbenzyl)-4-keto-2-methyl-pyrrole-3-carboxylic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=NC(=C(C2=O)C(=O)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=NC(=C(C2=O)C(=O)OC)C

InChI

InChI=1S/C16H17NO3/c1-4-11-5-7-12(8-6-11)9-13-15(18)14(10(2)17-13)16(19)20-3/h5-8H,4,9H2,1-3H3