ethyl 1-(4-ethoxy-4-oxidanylidene-butyl)-4-(4-nitrophenyl)carbonyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-(4-ethoxy-4-oxidanylidene-butyl)-4-(4-nitrophenyl)carbonyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(4-ethoxy-4-oxo-butyl)-4-(4-nitrobenzoyl)pyrrole-3-carboxylate CAS Name: 1-(4-ethoxy-4-oxobutyl)-4-[(4-nitrophenyl)-oxomethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-ethoxy-4-oxobutyl)-4-(4-nitrobenzoyl)pyrrole-3-carboxylate Traditional Name: 1-(4-ethoxy-4-keto-butyl)-4-(4-nitrobenzoyl)pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C(=C1)C(=O)OCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C=C(C(=C1)C(=O)OCC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-3-28-18(23)6-5-11-21-12-16(17(13-21)20(25)29-4-2)19(24)14-7-9-15(10-8-14)22(26)27/h7-10,12-13H,3-6,11H2,1-2H3