3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(3-nitrophenyl)-2-thenoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C(C)C

InChI

InChI=1S/C22H26N2O5S/c1-13(2)23(21(25)15-9-7-14(3)8-10-15)18-12-19(30-20(18)22(26)27)16-5-4-6-17(11-16)24(28)29/h4-6,11-15H,7-10H2,1-3H3,(H,26,27)