4-[[(E)-1-[5-(4-tert-butylphenyl)-4-oxidanylidene-thiophen-3-yl]ethylideneamino]carbamoyl]-2-nitro-benzoic acid

Systemtic Name: 4-[[(E)-1-[5-(4-tert-butylphenyl)-4-oxidanylidene-thiophen-3-yl]ethylideneamino]carbamoyl]-2-nitro-benzoic acid Openeye Name: 4-[[(E)-1-[5-(4-tert-butylphenyl)-4-oxo-3-thienyl]ethylideneamino]carbamoyl]-2-nitro-benzoic acid CAS Name: 4-[[(2E)-2-[1-[5-(4-tert-butylphenyl)-4-oxo-3-thiophenyl]ethylidene]hydrazinyl]-oxomethyl]-2-nitrobenzoic acid IUPAC Name: 4-[[(E)-1-[5-(4-tert-butylphenyl)-4-oxothiophen-3-yl]ethylideneamino]carbamoyl]-2-nitrobenzoic acid Traditional Name: 4-[[(E)-1-[5-(4-tert-butylphenyl)-4-keto-3-thienyl]ethylideneamino]carbamoyl]-2-nitro-benzoic acid Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-])C2=CSC(C2=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-])/C2=CSC(C2=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H23N3O6S/c1-13(25-26-22(29)15-7-10-17(23(30)31)19(11-15)27(32)33)18-12-34-21(20(18)28)14-5-8-16(9-6-14)24(2,3)4/h5-12,21H,1-4H3,(H,26,29)(H,30,31)/b25-13+