[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O8S/c25-20(22-17-4-6-18(7-5-17)24(27)28)15-32-21(26)10-3-16-1-8-19(9-2-16)33(29,30)23-11-13-31-14-12-23/h1-2,4-9H,3,10-15H2,(H,22,25)