3-[(6-nitroquinazolin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(6-nitroquinazolin-4-yl)amino]benzoic acid Openeye Name: 3-[(6-nitroquinazolin-4-yl)amino]benzoic acid CAS Name: 3-[(6-nitro-4-quinazolinyl)amino]benzoic acid IUPAC Name: 3-[(6-nitroquinazolin-4-yl)amino]benzoic acid Traditional Name: 3-[(6-nitroquinazolin-4-yl)amino]benzoic acid Formula: C15H10N4O4 MolecularWeight: 310.2643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H10N4O4/c20-15(21)9-2-1-3-10(6-9)18-14-12-7-11(19(22)23)4-5-13(12)16-8-17-14/h1-8H,(H,20,21)(H,16,17,18)