4-[3-[(4-nitrophenyl)amino]-2-oxidanyl-propoxy]-2H-phthalazin-1-one

Systemtic Name: 4-[3-[(4-nitrophenyl)amino]-2-oxidanyl-propoxy]-2H-phthalazin-1-one Openeye Name: 4-[2-hydroxy-3-(4-nitroanilino)propoxy]-2H-phthalazin-1-one CAS Name: 4-[2-hydroxy-3-(4-nitroanilino)propoxy]-2H-phthalazin-1-one IUPAC Name: 4-[2-hydroxy-3-(4-nitroanilino)propoxy]-2H-phthalazin-1-one Traditional Name: 4-[2-hydroxy-3-(4-nitroanilino)propoxy]-2H-phthalazin-1-one Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2OCC(CNC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2OCC(CNC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H16N4O5/c22-13(9-18-11-5-7-12(8-6-11)21(24)25)10-26-17-15-4-2-1-3-14(15)16(23)19-20-17/h1-8,13,18,22H,9-10H2,(H,19,23)