6-methyl-N-[3-(3-methylphenoxy)propyl]-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 6-methyl-N-[3-(3-methylphenoxy)propyl]-1-(2-nitrophenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 6-methyl-N-[3-(3-methylphenoxy)propyl]-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: 6-methyl-N-[3-(3-methylphenoxy)propyl]-1-(2-nitrophenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: 6-methyl-N-[3-(3-methylphenoxy)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide Traditional Name: 4-keto-6-methyl-N-[3-(3-methylphenoxy)propyl]-1-(2-nitrophenyl)pyridazine-3-carboxamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)C2=NN(C(=CC2=O)C)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-15-7-5-8-17(13-15)31-12-6-11-23-22(28)21-20(27)14-16(2)25(24-21)18-9-3-4-10-19(18)26(29)30/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,23,28)