methyl 2-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H13BrN4O6S MolecularWeight: 469.26662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(=O)OC

InChI

InChI=1S/C16H13BrN4O6S/c1-8-5-10(16(23)26-2)15(28-8)18-14(22)12-4-3-9(27-12)6-20-7-11(17)13(19-20)21(24)25/h3-5,7H,6H2,1-2H3,(H,18,22)