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

Systemtic Name: 4-methyl-6-(4-nitrophenyl)-1-[(thiophen-2-ylmethylideneamino)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: 4-methyl-6-(4-nitrophenyl)-1-[(2-thienylmethyleneamino)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 4-methyl-6-(4-nitrophenyl)-1-[oxo-[2-(thiophen-2-ylmethylidene)hydrazinyl]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: 4-methyl-6-(4-nitrophenyl)-1-[(thiophen-2-ylmethylideneamino)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 4-methyl-6-(4-nitrophenyl)-1-[(2-thenylideneamino)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C20H18N3O5S- MolecularWeight: 412.43902

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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)NN=CC3=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)/p-1