N-(2-chloranyl-5-nitro-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(2-chloro-5-nitro-phenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(2-chloro-5-nitrophenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(2-chloro-5-nitro-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C22H15ClN4O4 MolecularWeight: 434.8319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H15ClN4O4/c23-18-11-10-15(27(30)31)12-19(18)24-21(28)20-16-8-4-5-9-17(16)22(29)26(25-20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,28)