[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C21H20N4O8S MolecularWeight: 488.4705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H20N4O8S/c1-14-2-3-15(11-19(14)34(30,31)24-6-8-32-9-7-24)21(27)33-13-20(26)23-18-5-4-17(25(28)29)10-16(18)12-22/h2-5,10-11H,6-9,13H2,1H3,(H,23,26)