4-(3-nitro-4-phenylazanyl-phenyl)-2H-phthalazin-1-one

Systemtic Name: 4-(3-nitro-4-phenylazanyl-phenyl)-2H-phthalazin-1-one Openeye Name: 4-(4-anilino-3-nitro-phenyl)-2H-phthalazin-1-one CAS Name: 4-(4-anilino-3-nitrophenyl)-2H-phthalazin-1-one IUPAC Name: 4-(4-anilino-3-nitrophenyl)-2H-phthalazin-1-one Traditional Name: 4-(4-anilino-3-nitro-phenyl)-2H-phthalazin-1-one Formula: C20H14N4O3 MolecularWeight: 358.35016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O3/c25-20-16-9-5-4-8-15(16)19(22-23-20)13-10-11-17(18(12-13)24(26)27)21-14-6-2-1-3-7-14/h1-12,21H,(H,23,25)