3-[2-azanyl-3-nitro-4-(phenylmethyl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[2-azanyl-3-nitro-4-(phenylmethyl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-(2-amino-4-benzyl-3-nitro-phenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[2-amino-3-nitro-4-(phenylmethyl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-(2-amino-4-benzyl-3-nitrophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-(2-amino-4-benzyl-3-nitro-phenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C18H18N4O3 MolecularWeight: 338.36052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=C(C(=C(C=C2)CC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1CC(=O)NN=C1C2=C(C(=C(C=C2)CC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H18N4O3/c1-11-9-15(23)20-21-17(11)14-8-7-13(18(16(14)19)22(24)25)10-12-5-3-2-4-6-12/h2-8,11H,9-10,19H2,1H3,(H,20,23)