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

Systemtic Name: ethyl 2,4-dimethyl-5-[(E)-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-3-(4-hydroxy-3-nitrophenyl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-3-(4-hydroxy-3-nitrophenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-3-(4-hydroxy-3-nitro-phenyl)acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-4-26-18(23)16-10(2)17(19-11(16)3)15(22)8-6-12-5-7-14(21)13(9-12)20(24)25/h5-9,19,21H,4H2,1-3H3/b8-6+