methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O5/c1-8-14(21(24)25)9(2)20(19-8)7-13-17-12-6-10(16(23)26-3)4-5-11(12)15(22)18-13/h4-6H,7H2,1-3H3,(H,17,18,22)