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

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-quinazolin-7-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitro-7-quinazolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-6-nitroquinazolin-7-yl]piperidine-4-carboxylate Traditional Name: 1-[6-nitro-4-(piperonylamino)quinazolin-7-yl]isonipecotic acid ethyl ester Formula: C24H25N5O6 MolecularWeight: 479.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O6/c1-2-33-24(30)16-5-7-28(8-6-16)19-11-18-17(10-20(19)29(31)32)23(27-13-26-18)25-12-15-3-4-21-22(9-15)35-14-34-21/h3-4,9-11,13,16H,2,5-8,12,14H2,1H3,(H,25,26,27)