4-(4-chloranyl-3-nitro-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-(4-chloro-3-nitro-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-(4-chloro-3-nitrophenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-(4-chloro-3-nitrophenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-(4-chloro-3-nitro-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C14H12ClN3O3 MolecularWeight: 305.71638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NNC2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NNC2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H12ClN3O3/c15-11-6-5-8(7-12(11)18(20)21)13-9-3-1-2-4-10(9)14(19)17-16-13/h5-7H,1-4H2,(H,17,19)