7-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethylamino]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethylamino]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethylamino]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethylamino]-6-nitro-1H-quinazolin-4-one Formula: C18H16F2N4O5 MolecularWeight: 406.340246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C18H16F2N4O5/c1-28-16-6-10(2-3-15(16)29-18(19)20)4-5-21-13-8-12-11(7-14(13)24(26)27)17(25)23-9-22-12/h2-3,6-9,18,21H,4-5H2,1H3,(H,22,23,25)