4-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]-3-nitro-benzoic acid

Systemtic Name: 4-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]-3-nitro-benzoic acid Openeye Name: 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]-3-nitro-benzoic acid CAS Name: 4-[[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]-3-nitrobenzoic acid Traditional Name: 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]-3-nitro-benzoic acid Formula: C22H24N6O6 MolecularWeight: 468.46256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)NC4=C(C=C(C=C4)C(=O)O)[N+](=O)[O-])N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)NC4=C(C=C(C=C4)C(=O)O)[N+](=O)[O-])N)OC

InChI

InChI=1S/C22H24N6O6/c1-33-18-10-14-16(11-19(18)34-2)25-22(26-20(14)23)27-7-5-13(6-8-27)24-15-4-3-12(21(29)30)9-17(15)28(31)32/h3-4,9-11,13,24H,5-8H2,1-2H3,(H,29,30)(H2,23,25,26)