ethyl 4-[2-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[2-(2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[2-(2-methyl-4-nitroanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[2-keto-2-(2-methyl-4-nitro-anilino)ethyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O6S/c1-3-29-20(26)14-4-6-15(7-5-14)21-18(24)11-30-12-19(25)22-17-9-8-16(23(27)28)10-13(17)2/h4-10H,3,11-12H2,1-2H3,(H,21,24)(H,22,25)