4-methyl-6-(4-nitrophenyl)-1-[[(E)-thiophen-2-ylmethylideneamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 4-methyl-6-(4-nitrophenyl)-1-[[(E)-thiophen-2-ylmethylideneamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 4-methyl-6-(4-nitrophenyl)-1-[[(E)-2-thienylmethyleneamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 4-methyl-6-(4-nitrophenyl)-1-[oxo-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 4-methyl-6-(4-nitrophenyl)-1-[[(E)-thiophen-2-ylmethylideneamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 4-methyl-6-(4-nitrophenyl)-1-[[(E)-2-thenylideneamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)NN=CC3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=CCC(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])(C(=O)N/N=C/C3=CC=CS3)C(=O)O

InChI

InChI=1S/C20H19N3O5S/c1-13-8-9-20(19(25)26,18(24)22-21-12-16-3-2-10-29-16)17(11-13)14-4-6-15(7-5-14)23(27)28/h2-8,10,12,17H,9,11H2,1H3,(H,22,24)(H,25,26)/b21-12+