methyl 2-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C14H13BrN4O7 MolecularWeight: 429.17962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C14H13BrN4O7/c1-24-8-4-6(14(21)26-3)7(5-9(8)25-2)16-13(20)11-10(15)12(18-17-11)19(22)23/h4-5H,1-3H3,(H,16,20)(H,17,18)