[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O5S/c1-13-18-12-19(32-21(18)25(24-13)16-8-4-3-5-9-16)22(28)31-14(2)20(27)23-15-7-6-10-17(11-15)26(29)30/h3-12,14H,1-2H3,(H,23,27)