3-(3-methylbutyl)-8-nitro-quinazolin-4-one

Systemtic Name: 3-(3-methylbutyl)-8-nitro-quinazolin-4-one Openeye Name: 3-isopentyl-8-nitro-quinazolin-4-one CAS Name: 3-(3-methylbutyl)-8-nitro-4-quinazolinone IUPAC Name: 3-(3-methylbutyl)-8-nitroquinazolin-4-one Traditional Name: 3-isoamyl-8-nitro-quinazolin-4-one Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C(C1=O)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C=NC2=C(C1=O)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O3/c1-9(2)6-7-15-8-14-12-10(13(15)17)4-3-5-11(12)16(18)19/h3-5,8-9H,6-7H2,1-2H3