6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-4-oxidanylidene-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyridazine-3-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-1-(2-nitrophenyl)-4-oxo-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyridazine-3-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-4-keto-6-methyl-1-(2-nitrophenyl)pyridazine-3-carboxamide Formula: C22H20N6O5 MolecularWeight: 448.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

InChI

InChI=1S/C22H20N6O5/c1-3-12-23-22(31)25-16-10-8-15(9-11-16)24-21(30)20-19(29)13-14(2)27(26-20)17-6-4-5-7-18(17)28(32)33/h3-11,13H,1,12H2,2H3,(H,24,30)(H2,23,25,31)