6-nitro-7-(3-phenylmethoxypropylamino)-1H-quinazolin-4-one

Systemtic Name: 6-nitro-7-(3-phenylmethoxypropylamino)-1H-quinazolin-4-one Openeye Name: 7-(3-benzyloxypropylamino)-6-nitro-1H-quinazolin-4-one CAS Name: 6-nitro-7-(3-phenylmethoxypropylamino)-1H-quinazolin-4-one IUPAC Name: 6-nitro-7-(3-phenylmethoxypropylamino)-1H-quinazolin-4-one Traditional Name: 7-(3-benzoxypropylamino)-6-nitro-1H-quinazolin-4-one Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCCCNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c23-18-14-9-17(22(24)25)16(10-15(14)20-12-21-18)19-7-4-8-26-11-13-5-2-1-3-6-13/h1-3,5-6,9-10,12,19H,4,7-8,11H2,(H,20,21,23)