N-(4-azanylidene-6-nitro-quinazolin-3-yl)-4-bromanyl-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(4-azanylidene-6-nitro-quinazolin-3-yl)-4-bromanyl-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: 4-bromo-N-(4-imino-6-nitro-quinazolin-3-yl)-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 4-bromo-N-(4-imino-6-nitro-3-quinazolinyl)-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-(4-imino-6-nitroquinazolin-3-yl)-2,5-dimethylpyrazole-3-carboxamide Traditional Name: 4-bromo-N-(4-imino-6-nitro-quinazolin-3-yl)-2,5-dimethyl-pyrazole-3-carboxamide Formula: C14H12BrN7O3 MolecularWeight: 406.19418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NN2C=NC3=C(C2=N)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NN2C=NC3=C(C2=N)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C14H12BrN7O3/c1-7-11(15)12(20(2)18-7)14(23)19-21-6-17-10-4-3-8(22(24)25)5-9(10)13(21)16/h3-6,16H,1-2H3,(H,19,23)