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

Systemtic Name: O2-ethyl O4-methyl 5-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C19H17BrN4O8S MolecularWeight: 541.32928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(=O)OC)C

InChI

InChI=1S/C19H17BrN4O8S/c1-4-31-19(27)14-9(2)13(18(26)30-3)17(33-14)21-16(25)12-6-5-10(32-12)7-23-8-11(20)15(22-23)24(28)29/h5-6,8H,4,7H2,1-3H3,(H,21,25)