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

Systemtic Name: ethyl 2-[7-[3-(dimethylamino)propylamino]-6-nitro-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: ethyl 2-[7-[3-(dimethylamino)propylamino]-6-nitro-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[7-[3-(dimethylamino)propylamino]-6-nitro-4-oxo-3-quinazolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[3-(dimethylamino)propylamino]-6-nitro-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[7-[3-(dimethylamino)propylamino]-4-keto-6-nitro-quinazolin-3-yl]acetic acid ethyl ester Formula: C17H23N5O5 MolecularWeight: 377.39502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=CC(=C(C=C2C1=O)[N+](=O)[O-])NCCCN(C)C

Isomeric SMILES

CCOC(=O)CN1C=NC2=CC(=C(C=C2C1=O)[N+](=O)[O-])NCCCN(C)C

InChI

InChI=1S/C17H23N5O5/c1-4-27-16(23)10-21-11-19-13-9-14(18-6-5-7-20(2)3)15(22(25)26)8-12(13)17(21)24/h8-9,11,18H,4-7,10H2,1-3H3