methyl 2-[2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)NC2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5S/c1-8-12(18(21)22)13(17-16-8)24-7-11(19)15-10-6-4-3-5-9(10)14(20)23-2/h3-6H,7H2,1-2H3,(H,15,19)(H,16,17)