2-[[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]amino]methyl]-1H-quinazolin-4-one Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN(CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H20N4O5/c1-2-23(10-18-21-17-6-4-3-5-16(17)20(25)22-18)9-13-7-15(24(26)27)8-14-11-28-12-29-19(13)14/h3-8H,2,9-12H2,1H3,(H,21,22,25)