[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: 3-(4-morpholinosulfonylphenyl)acrylic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C21H20FN3O8S MolecularWeight: 493.462203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O8S/c22-18-7-4-16(25(28)29)13-19(18)23-20(26)14-33-21(27)8-3-15-1-5-17(6-2-15)34(30,31)24-9-11-32-12-10-24/h1-8,13H,9-12,14H2,(H,23,26)