4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzamide

Systemtic Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzamide Openeye Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzamide CAS Name: 4-[[4-(4-methoxy-3-nitrophenyl)-1-phthalazinyl]amino]benzamide IUPAC Name: 4-[[4-(4-methoxy-3-nitrophenyl)phthalazin-1-yl]amino]benzamide Traditional Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzamide Formula: C22H17N5O4 MolecularWeight: 415.40148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O4/c1-31-19-11-8-14(12-18(19)27(29)30)20-16-4-2-3-5-17(16)22(26-25-20)24-15-9-6-13(7-10-15)21(23)28/h2-12H,1H3,(H2,23,28)(H,24,26)