(3S,4R)-4-(4-nitrophenyl)-3-oxidanyl-4-[(4-prop-2-ynoxyphenyl)amino]butan-2-one

Systemtic Name: (3S,4R)-4-(4-nitrophenyl)-3-oxidanyl-4-[(4-prop-2-ynoxyphenyl)amino]butan-2-one Openeye Name: (3S,4R)-3-hydroxy-4-(4-nitrophenyl)-4-(4-prop-2-ynoxyanilino)butan-2-one CAS Name: (3S,4R)-3-hydroxy-4-(4-nitrophenyl)-4-(4-prop-2-ynoxyanilino)-2-butanone IUPAC Name: (3S,4R)-3-hydroxy-4-(4-nitrophenyl)-4-(4-prop-2-ynoxyanilino)butan-2-one Traditional Name: (3S,4R)-3-hydroxy-4-(4-nitrophenyl)-4-(4-propargyloxyanilino)butan-2-one Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OCC#C)O

Isomeric SMILES

CC(=O)[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OCC#C)O

InChI

InChI=1S/C19H18N2O5/c1-3-12-26-17-10-6-15(7-11-17)20-18(19(23)13(2)22)14-4-8-16(9-5-14)21(24)25/h1,4-11,18-20,23H,12H2,2H3/t18-,19-/m1/s1