ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperazine-1-carboxylate CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-7-quinazolinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitroquinazolin-7-yl]piperazine-1-carboxylate Traditional Name: 4-[6-nitro-4-(piperonylamino)quinazolin-7-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H24N6O6 MolecularWeight: 480.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O6/c1-2-33-23(30)28-7-5-27(6-8-28)18-11-17-16(10-19(18)29(31)32)22(26-13-25-17)24-12-15-3-4-20-21(9-15)35-14-34-20/h3-4,9-11,13H,2,5-8,12,14H2,1H3,(H,24,25,26)