O2-ethyl O4-methyl 5-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C14H13BrN4O7S MolecularWeight: 461.24462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C(=NN2)[N+](=O)[O-])Br)C(=O)OC)C

InChI

InChI=1S/C14H13BrN4O7S/c1-4-26-14(22)9-5(2)6(13(21)25-3)12(27-9)16-11(20)8-7(15)10(18-17-8)19(23)24/h4H2,1-3H3,(H,16,20)(H,17,18)