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

Systemtic Name: 2-methylpropyl N-[6-nitro-2-(prop-2-enylamino)quinazolin-4-yl]carbamate Openeye Name: isobutyl N-[2-(allylamino)-6-nitro-quinazolin-4-yl]carbamate CAS Name: N-[6-nitro-2-(prop-2-enylamino)-4-quinazolinyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[6-nitro-2-(prop-2-enylamino)quinazolin-4-yl]carbamate Traditional Name: N-[2-(allylamino)-6-nitro-quinazolin-4-yl]carbamic acid isobutyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4/c1-4-7-17-15-18-13-6-5-11(21(23)24)8-12(13)14(19-15)20-16(22)25-9-10(2)3/h4-6,8,10H,1,7,9H2,2-3H3,(H2,17,18,19,20,22)