ethyl 2-methyl-5-(4-nitrophenyl)-1-[4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-(4-nitrophenyl)-1-[4-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-(4-nitrophenyl)-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate CAS Name: 2-methyl-5-(4-nitrophenyl)-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-(4-nitrophenyl)-1-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]pyrrole-3-carboxylate Traditional Name: 1-[4-(4-keto-3H-phthalazin-1-yl)phenyl]-2-methyl-5-(4-nitrophenyl)pyrrole-3-carboxylic acid ethyl ester Formula: C28H22N4O5 MolecularWeight: 494.49808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C4=NNC(=O)C5=CC=CC=C54)C

InChI

InChI=1S/C28H22N4O5/c1-3-37-28(34)24-16-25(18-8-14-21(15-9-18)32(35)36)31(17(24)2)20-12-10-19(11-13-20)26-22-6-4-5-7-23(22)27(33)30-29-26/h4-16H,3H2,1-2H3,(H,30,33)