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

Systemtic Name: 4-[3-nitro-4-[(phenylmethyl)amino]phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(benzylamino)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[3-nitro-4-[(phenylmethyl)amino]phenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(benzylamino)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(benzylamino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3/c26-21-17-9-5-4-8-16(17)20(23-24-21)15-10-11-18(19(12-15)25(27)28)22-13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,24,26)