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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N2O5/c1-4-25-18(22)17-11(2)16(12(3)19-17)15(21)9-8-13-6-5-7-14(10-13)20(23)24/h5-10,19H,4H2,1-3H3/b9-8+