N-[1-(4-methyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[1-(4-methyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[1-(4-methyl-3-nitro-phenyl)ethylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[1-(4-methyl-3-nitrophenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[1-(4-methyl-3-nitro-phenyl)ethylideneamino]phthalazine-1-carboxamide Formula: C25H21N5O4 MolecularWeight: 455.46534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O4/c1-16-12-13-19(14-22(16)30(33)34)17(2)26-27-24(31)23-20-10-6-7-11-21(20)25(32)29(28-23)15-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,27,31)