N-[2-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]ethyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]ethyl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]ethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]ethyl]-2-methyl-3-nitro-benzamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N4O5/c1-14-17(4-3-5-19(14)25(28)29)21(27)22-12-13-24-20(26)11-10-18(23-24)15-6-8-16(30-2)9-7-15/h3-11H,12-13H2,1-2H3,(H,22,27)