N-[6-nitro-2-(prop-2-enylamino)quinazolin-4-yl]ethanamide

Systemtic Name: N-[6-nitro-2-(prop-2-enylamino)quinazolin-4-yl]ethanamide Openeye Name: N-[2-(allylamino)-6-nitro-quinazolin-4-yl]acetamide CAS Name: N-[6-nitro-2-(prop-2-enylamino)-4-quinazolinyl]acetamide IUPAC Name: N-[6-nitro-2-(prop-2-enylamino)quinazolin-4-yl]acetamide Traditional Name: N-[2-(allylamino)-6-nitro-quinazolin-4-yl]acetamide Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C

Isomeric SMILES

CC(=O)NC1=NC(=NC2=C1C=C(C=C2)[N+](=O)[O-])NCC=C

InChI

InChI=1S/C13H13N5O3/c1-3-6-14-13-16-11-5-4-9(18(20)21)7-10(11)12(17-13)15-8(2)19/h3-5,7H,1,6H2,2H3,(H2,14,15,16,17,19)