2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O5/c1-8-15(21(23)24)9(2)20(19-8)7-14-17-11-6-13(26-4)12(25-3)5-10(11)16(22)18-14/h5-6H,7H2,1-4H3,(H,17,18,22)