4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxycarbonyl-3-nitro-phenyl)-2-nitro-benzoic acid

Systemtic Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxycarbonyl-3-nitro-phenyl)-2-nitro-benzoic acid Openeye Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxycarbonyl-3-nitro-phenyl)-2-nitro-benzoic acid CAS Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxycarbonyl-3-nitrophenyl)-2-nitrobenzoic acid IUPAC Name: 4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxycarbonyl-3-nitrophenyl)-2-nitrobenzoic acid Traditional Name: 3-(4-carbomethoxy-3-nitro-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-nitro-benzoic acid Formula: C24H23N5O8S MolecularWeight: 541.53312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCCC2)SC(=N1)C3=C(C(=C(C=C3)C(=O)O)[N+](=O)[O-])C4=CC(=C(C=C4)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NC2CCCCC2)SC(=N1)C3=C(C(=C(C=C3)C(=O)O)[N+](=O)[O-])C4=CC(=C(C=C4)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O8S/c1-27-24(25-14-6-4-3-5-7-14)38-21(26-27)16-10-11-17(22(30)31)20(29(35)36)19(16)13-8-9-15(23(32)37-2)18(12-13)28(33)34/h8-12,14H,3-7H2,1-2H3,(H,30,31)