methyl 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoate

Systemtic Name: methyl 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoate Openeye Name: methyl 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoate CAS Name: 3-[[2-(4-nitrophenyl)-4-quinazolinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoate Traditional Name: 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoic acid methyl ester Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4/c1-30-22(27)15-5-4-6-16(13-15)23-21-18-7-2-3-8-19(18)24-20(25-21)14-9-11-17(12-10-14)26(28)29/h2-13H,1H3,(H,23,24,25)