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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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