2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-5-nitro-benzoic acid

Systemtic Name: 2-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]-5-nitro-benzoic acid Openeye Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-5-nitro-benzoic acid CAS Name: 2-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]-5-nitrobenzoic acid IUPAC Name: 2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-5-nitrobenzoic acid Traditional Name: 2-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]-5-nitro-benzoic acid Formula: C17H13ClN4O6 MolecularWeight: 404.76132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O)OC

InChI

InChI=1S/C17H13ClN4O6/c1-27-13-6-9-12(7-14(13)28-2)20-17(18)21-15(9)19-11-4-3-8(22(25)26)5-10(11)16(23)24/h3-7H,1-2H3,(H,23,24)(H,19,20,21)