(4-nitrophenyl) 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxylate Openeye Name: (4-nitrophenyl) 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxylate CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxylic acid (4-nitrophenyl) ester Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N5O6/c1-30-18-11-16-17(12-19(18)31-2)22-13-23-20(16)24-7-9-25(10-8-24)21(27)32-15-5-3-14(4-6-15)26(28)29/h3-6,11-13H,7-10H2,1-2H3