4-[4-(4-methyl-3-nitro-phenyl)-1-oxidanylidene-phthalazin-2-yl]benzoic acid

Systemtic Name: 4-[4-(4-methyl-3-nitro-phenyl)-1-oxidanylidene-phthalazin-2-yl]benzoic acid Openeye Name: 4-[4-(4-methyl-3-nitro-phenyl)-1-oxo-phthalazin-2-yl]benzoic acid CAS Name: 4-[4-(4-methyl-3-nitrophenyl)-1-oxo-2-phthalazinyl]benzoic acid IUPAC Name: 4-[4-(4-methyl-3-nitrophenyl)-1-oxophthalazin-2-yl]benzoic acid Traditional Name: 4-[1-keto-4-(4-methyl-3-nitro-phenyl)phthalazin-2-yl]benzoic acid Formula: C22H15N3O5 MolecularWeight: 401.3716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O5/c1-13-6-7-15(12-19(13)25(29)30)20-17-4-2-3-5-18(17)21(26)24(23-20)16-10-8-14(9-11-16)22(27)28/h2-12H,1H3,(H,27,28)