[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O7S/c1-2-32-16-9-10-18(19(13-16)26(30)31)24-21(27)14-33-23(29)17-7-3-4-8-20(17)34-15-22(28)25-11-5-6-12-25/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,24,27)