7-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[methyl(piperonyl)amino]-6-nitro-1H-quinazolin-4-one Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5/c1-20(7-10-2-3-15-16(4-10)26-9-25-15)13-6-12-11(5-14(13)21(23)24)17(22)19-8-18-12/h2-6,8H,7,9H2,1H3,(H,18,19,22)