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

Systemtic Name: ethyl 4-[(E)-3-(4-chloranyl-3-nitro-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-chloro-3-nitro-phenyl)-2-cyano-prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-3-(4-chloro-3-nitrophenyl)-2-cyano-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-3-(4-chloro-3-nitro-phenyl)-2-cyano-acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H16ClN3O5 MolecularWeight: 401.80044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O5/c1-4-28-19(25)17-11(3)22-10(2)16(17)18(24)13(9-21)7-12-5-6-14(20)15(8-12)23(26)27/h5-8,22H,4H2,1-3H3/b13-7+