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

Systemtic Name: ethyl 3,5-dimethyl-4-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-3-(3-nitro-4-propan-2-ylphenyl)-1-oxoprop-2-enyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(E)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-3-(4-isopropyl-3-nitro-phenyl)acryloyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5/c1-6-28-21(25)20-13(4)19(14(5)22-20)18(24)10-8-15-7-9-16(12(2)3)17(11-15)23(26)27/h7-12,22H,6H2,1-5H3/b10-8+