N-[(Z)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C17H12ClN5O4 MolecularWeight: 385.76128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN5O4/c1-9(10-6-7-13(18)14(8-10)23(26)27)19-22-17(25)15-11-4-2-3-5-12(11)16(24)21-20-15/h2-8H,1H3,(H,21,24)(H,22,25)/b19-9-