3,5-dimethyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: 3,5-dimethyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: 3,5-dimethyl-4-[(E)-3-(m-tolyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]-1H-pyrrole-2-carboxylate IUPAC Name: 3,5-dimethyl-4-[(E)-3-(3-methylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[(E)-3-(m-tolyl)acryloyl]-1H-pyrrole-2-carboxylate Formula: C17H16NO3- MolecularWeight: 282.31384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)C2=C(NC(=C2C)C(=O)[O-])C

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)C2=C(NC(=C2C)C(=O)[O-])C

InChI

InChI=1S/C17H17NO3/c1-10-5-4-6-13(9-10)7-8-14(19)15-11(2)16(17(20)21)18-12(15)3/h4-9,18H,1-3H3,(H,20,21)/p-1/b8-7+