7-[3-(3-methylphenoxy)propylamino]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[3-(3-methylphenoxy)propylamino]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[3-(3-methylphenoxy)propylamino]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[3-(3-methylphenoxy)propylamino]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[3-(3-methylphenoxy)propylamino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[3-(3-methylphenoxy)propylamino]-6-nitro-1H-quinazolin-4-one Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-12-4-2-5-13(8-12)26-7-3-6-19-16-10-15-14(9-17(16)22(24)25)18(23)21-11-20-15/h2,4-5,8-11,19H,3,6-7H2,1H3,(H,20,21,23)