6,7-dimethoxy-4-(3-nitrophenyl)-2H-phthalazin-1-one

Systemtic Name: 6,7-dimethoxy-4-(3-nitrophenyl)-2H-phthalazin-1-one Openeye Name: 6,7-dimethoxy-4-(3-nitrophenyl)-2H-phthalazin-1-one CAS Name: 6,7-dimethoxy-4-(3-nitrophenyl)-2H-phthalazin-1-one IUPAC Name: 6,7-dimethoxy-4-(3-nitrophenyl)-2H-phthalazin-1-one Traditional Name: 6,7-dimethoxy-4-(3-nitrophenyl)-2H-phthalazin-1-one Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H13N3O5/c1-23-13-7-11-12(8-14(13)24-2)16(20)18-17-15(11)9-4-3-5-10(6-9)19(21)22/h3-8H,1-2H3,(H,18,20)