[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 2-(5-morpholinosulfonyl-2-thienyl)acetate CAS Name: 2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]acetic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-morpholinosulfonyl-2-thienyl)acetic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18ClN3O8S2 MolecularWeight: 503.93382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O8S2/c19-14-9-12(22(25)26)1-3-15(14)20-16(23)11-30-17(24)10-13-2-4-18(31-13)32(27,28)21-5-7-29-8-6-21/h1-4,9H,5-8,10-11H2,(H,20,23)