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

Systemtic Name: methyl 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzoate Openeye Name: methyl 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzoate CAS Name: 4-[[4-(4-methoxy-3-nitrophenyl)-1-phthalazinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-methoxy-3-nitrophenyl)phthalazin-1-yl]amino]benzoate Traditional Name: 4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]benzoic acid methyl ester Formula: C23H18N4O5 MolecularWeight: 430.41282

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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)OC)[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)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H18N4O5/c1-31-20-12-9-15(13-19(20)27(29)30)21-17-5-3-4-6-18(17)22(26-25-21)24-16-10-7-14(8-11-16)23(28)32-2/h3-13H,1-2H3,(H,24,26)