2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-3-oxidanidyl-1,2-dihydroquinazolin-4-one

Systemtic Name: 2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-3-oxidanidyl-1,2-dihydroquinazolin-4-one Openeye Name: 2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-3-oxido-1,2-dihydroquinazolin-4-one CAS Name: 2-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]-3-oxido-1,2-dihydroquinazolin-4-one IUPAC Name: 2-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-3-oxido-1,2-dihydroquinazolin-4-one Traditional Name: 2-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]-3-oxido-1,2-dihydroquinazolin-4-one Formula: C21H20N5O5- MolecularWeight: 422.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3[O-])OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3[O-])OC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N5O5/c1-12-19(26(29)30)13(2)24(23-12)11-15-10-14(8-9-18(15)31-3)20-22-17-7-5-4-6-16(17)21(27)25(20)28/h4-10,20,22H,11H2,1-3H3/q-1