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

Systemtic Name: N-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(4-chloro-3-nitro-phenyl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(Z)-(4-chloro-3-nitro-benzylidene)amino]-4-keto-3H-phthalazine-1-carboxamide Formula: C16H10ClN5O4 MolecularWeight: 371.7347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)N/N=C\C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H10ClN5O4/c17-12-6-5-9(7-13(12)22(25)26)8-18-20-16(24)14-10-3-1-2-4-11(10)15(23)21-19-14/h1-8H,(H,20,24)(H,21,23)/b18-8-