methyl 3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=C(SC=C3)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=C(SC=C3)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-11-16(23(26)27)12(2)22(21-11)10-13-4-6-14(7-5-13)18(24)20-15-8-9-29-17(15)19(25)28-3/h4-9H,10H2,1-3H3,(H,20,24)