N-[(3-nitrophenyl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(3-nitrophenyl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(3-nitrophenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(3-nitrophenyl)methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(3-nitrophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(3-nitrobenzylidene)amino]phthalazine-1-carboxamide Formula: C23H17N5O4 MolecularWeight: 427.41218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N5O4/c29-22(25-24-14-17-9-6-10-18(13-17)28(31)32)21-19-11-4-5-12-20(19)23(30)27(26-21)15-16-7-2-1-3-8-16/h1-14H,15H2,(H,25,29)