tert-butyl 4-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]-3-nitro-benzoate

Systemtic Name: tert-butyl 4-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]-3-nitro-benzoate Openeye Name: tert-butyl 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]-3-nitro-benzoate CAS Name: 4-[[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]amino]-3-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]-3-nitrobenzoate Traditional Name: 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]-3-nitro-benzoic acid tert-butyl ester Formula: C26H32N6O6 MolecularWeight: 524.56888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)NC2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)NC2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H32N6O6/c1-26(2,3)38-24(33)15-6-7-18(20(12-15)32(34)35)28-16-8-10-31(11-9-16)25-29-19-14-22(37-5)21(36-4)13-17(19)23(27)30-25/h6-7,12-14,16,28H,8-11H2,1-5H3,(H2,27,29,30)