4-[4-[(4-methoxyphenyl)amino]-3-nitro-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-[(4-methoxyphenyl)amino]-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(4-methoxyanilino)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(4-methoxyanilino)-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-methoxyanilino)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[3-nitro-4-(p-anisidino)phenyl]-2H-phthalazin-1-one Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4/c1-29-15-9-7-14(8-10-15)22-18-11-6-13(12-19(18)25(27)28)20-16-4-2-3-5-17(16)21(26)24-23-20/h2-12,22H,1H3,(H,24,26)