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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

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