methyl 5-methyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[1-[(2-nitrophenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[1-[(2-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H16N4O6S MolecularWeight: 416.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H16N4O6S/c1-11-9-12(18(24)27-2)17(29-11)19-16(23)13-7-8-21(20-13)10-28-15-6-4-3-5-14(15)22(25)26/h3-9H,10H2,1-2H3,(H,19,23)