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

Systemtic Name: 4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-3-(4-ethylphenyl)-1-oxoprop-2-enyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate IUPAC Name: 4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(4-ethylphenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Formula: C18H18NO3- MolecularWeight: 296.34042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC(=O)C2=C(NC(=C2C)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C(=O)C2=C(NC(=C2C)C(=O)[O-])C

InChI

InChI=1S/C18H19NO3/c1-4-13-5-7-14(8-6-13)9-10-15(20)16-11(2)17(18(21)22)19-12(16)3/h5-10,19H,4H2,1-3H3,(H,21,22)/p-1/b10-9+