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

Systemtic Name: ethyl 2,4-dimethyl-5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(E)-3-(4-nitrophenyl)acryloyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N2O5/c1-4-25-18(22)16-11(2)17(19-12(16)3)15(21)10-7-13-5-8-14(9-6-13)20(23)24/h5-10,19H,4H2,1-3H3/b10-7+