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

Systemtic Name: 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(4-nitrophenyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(4-nitrophenyl)quinazolin-4-yl]amino]benzoic acid Formula: C21H14N4O4 MolecularWeight: 386.36026

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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)