5-bromanyl-1-methyl-N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]pyrazole-3-carboxamide

Systemtic Name: 5-bromanyl-1-methyl-N-[(E)-1-(5-nitro-1,2,3,4-tetrazol-2-yl)propan-2-ylideneamino]pyrazole-3-carboxamide Openeye Name: 5-bromo-1-methyl-N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]pyrazole-3-carboxamide CAS Name: 5-bromo-1-methyl-N-[(E)-1-(5-nitro-2-tetrazolyl)propan-2-ylideneamino]-3-pyrazolecarboxamide IUPAC Name: 5-bromo-1-methyl-N-[(E)-1-(5-nitrotetrazol-2-yl)propan-2-ylideneamino]pyrazole-3-carboxamide Traditional Name: 5-bromo-1-methyl-N-[(E)-[1-methyl-2-(5-nitrotetrazol-2-yl)ethylidene]amino]pyrazole-3-carboxamide Formula: C9H10BrN9O3 MolecularWeight: 372.1382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NN(C(=C1)Br)C)CN2N=C(N=N2)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=NN(C(=C1)Br)C)/CN2N=C(N=N2)[N+](=O)[O-]

InChI

InChI=1S/C9H10BrN9O3/c1-5(4-18-15-9(13-16-18)19(21)22)11-12-8(20)6-3-7(10)17(2)14-6/h3H,4H2,1-2H3,(H,12,20)/b11-5+