3-[3-(4-methyl-2-nitro-phenoxy)propyl]quinazolin-4-one

Systemtic Name: 3-[3-(4-methyl-2-nitro-phenoxy)propyl]quinazolin-4-one Openeye Name: 3-[3-(4-methyl-2-nitro-phenoxy)propyl]quinazolin-4-one CAS Name: 3-[3-(4-methyl-2-nitrophenoxy)propyl]-4-quinazolinone IUPAC Name: 3-[3-(4-methyl-2-nitrophenoxy)propyl]quinazolin-4-one Traditional Name: 3-[3-(4-methyl-2-nitro-phenoxy)propyl]quinazolin-4-one Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c1-13-7-8-17(16(11-13)21(23)24)25-10-4-9-20-12-19-15-6-3-2-5-14(15)18(20)22/h2-3,5-8,11-12H,4,9-10H2,1H3