2-[[ethyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[ethyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[ethyl-[(5-nitro-2-oxo-1-pyridyl)methyl]amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[ethyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[ethyl-[(5-nitro-2-oxopyridin-1-yl)methyl]amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[ethyl-[(2-keto-5-nitro-1-pyridyl)methyl]amino]methyl]-1H-quinazolin-4-one Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-2-20(11-21-9-12(22(25)26)7-8-16(21)23)10-15-18-14-6-4-3-5-13(14)17(24)19-15/h3-9H,2,10-11H2,1H3,(H,18,19,24)