2-methyl-4-[4-[(4-methylphenyl)amino]-3-nitro-phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-[(4-methylphenyl)amino]-3-nitro-phenyl]phthalazin-1-one Openeye Name: 2-methyl-4-[4-(4-methylanilino)-3-nitro-phenyl]phthalazin-1-one CAS Name: 2-methyl-4-[4-(4-methylanilino)-3-nitrophenyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(4-methylanilino)-3-nitrophenyl]phthalazin-1-one Traditional Name: 2-methyl-4-[3-nitro-4-(p-toluidino)phenyl]phthalazin-1-one Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)C)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3/c1-14-7-10-16(11-8-14)23-19-12-9-15(13-20(19)26(28)29)21-17-5-3-4-6-18(17)22(27)25(2)24-21/h3-13,23H,1-2H3