ethyl 2-[7-[3-(diethylamino)propylamino]-6-nitro-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: ethyl 2-[7-[3-(diethylamino)propylamino]-6-nitro-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: ethyl 2-[7-[3-(diethylamino)propylamino]-6-nitro-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[7-[3-(diethylamino)propylamino]-6-nitro-4-oxo-3-quinazolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[3-(diethylamino)propylamino]-6-nitro-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[7-[3-(diethylamino)propylamino]-4-keto-6-nitro-quinazolin-3-yl]acetic acid ethyl ester Formula: C19H27N5O5 MolecularWeight: 405.44818

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C(C=C2C(=C1)N=CN(C2=O)CC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCNC1=C(C=C2C(=C1)N=CN(C2=O)CC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O5/c1-4-22(5-2)9-7-8-20-16-11-15-14(10-17(16)24(27)28)19(26)23(13-21-15)12-18(25)29-6-3/h10-11,13,20H,4-9,12H2,1-3H3