(2R,3S)-1-(1-methoxy-3-methyl-1-oxidanylidene-but-2-en-2-yl)-3-[(4-nitrophenyl)methylideneamino]-4-oxidanylidene-azetidine-2-sulfonic acid

Systemtic Name: (2R,3S)-1-(1-methoxy-3-methyl-1-oxidanylidene-but-2-en-2-yl)-3-[(4-nitrophenyl)methylideneamino]-4-oxidanylidene-azetidine-2-sulfonic acid Openeye Name: (2R,3S)-1-(1-methoxycarbonyl-2-methyl-prop-1-enyl)-3-[(4-nitrophenyl)methyleneamino]-4-oxo-azetidine-2-sulfonic acid CAS Name: (2R,3S)-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-3-[(4-nitrophenyl)methylideneamino]-4-oxo-2-azetidinesulfonic acid IUPAC Name: (2R,3S)-1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-3-[(4-nitrophenyl)methylideneamino]-4-oxoazetidine-2-sulfonic acid Traditional Name: (2R,3S)-1-(1-carbomethoxy-2-methyl-prop-1-enyl)-4-keto-3-[(4-nitrobenzylidene)amino]azetidine-2-sulfonic acid Formula: C16H17N3O8S MolecularWeight: 411.38648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)N1C(C(C1=O)N=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)C

Isomeric SMILES

CC(=C(C(=O)OC)N1[C@@H]([C@H](C1=O)N=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)C

InChI

InChI=1S/C16H17N3O8S/c1-9(2)13(16(21)27-3)18-14(20)12(15(18)28(24,25)26)17-8-10-4-6-11(7-5-10)19(22)23/h4-8,12,15H,1-3H3,(H,24,25,26)/t12-,15+/m0/s1