5-ethyl-6-(4-methoxy-3-oxidanyl-phenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one

Systemtic Name: 5-ethyl-6-(4-methoxy-3-oxidanyl-phenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one Openeye Name: 5-ethyl-6-(3-hydroxy-4-methoxy-phenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one CAS Name: 5-ethyl-6-(3-hydroxy-4-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one IUPAC Name: 5-ethyl-6-(3-hydroxy-4-methoxyphenyl)-2-[(4-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one Traditional Name: 5-ethyl-6-(3-hydroxy-4-methoxy-phenyl)-2-(4-nitrobenzyl)-4,5-dihydropyridazin-3-one Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)N(N=C1C2=CC(=C(C=C2)OC)O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1CC(=O)N(N=C1C2=CC(=C(C=C2)OC)O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-3-14-11-19(25)22(12-13-4-7-16(8-5-13)23(26)27)21-20(14)15-6-9-18(28-2)17(24)10-15/h4-10,14,24H,3,11-12H2,1-2H3