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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3/c1-10-5-6-11(2)14(9-10)7-8-15(20)16-12(3)17(18(21)22)19-13(16)4/h5-9,19H,1-4H3,(H,21,22)/p-1/b8-7+