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

Systemtic Name: 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoate Openeye Name: 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoate CAS Name: 3-[[2-(4-nitrophenyl)-4-quinazolinyl]amino]benzoate IUPAC Name: 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoate Traditional Name: 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoate Formula: C21H13N4O4- MolecularWeight: 385.35232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])NC4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C21H14N4O4/c26-21(27)14-4-3-5-15(12-14)22-20-17-6-1-2-7-18(17)23-19(24-20)13-8-10-16(11-9-13)25(28)29/h1-12H,(H,26,27)(H,22,23,24)/p-1