1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-but-2-en-2-yl]-4-oxidanylidene-3-(2-phenylethanoylamino)azetidine-2-sulfonic acid

Systemtic Name: 1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-but-2-en-2-yl]-4-oxidanylidene-3-(2-phenylethanoylamino)azetidine-2-sulfonic acid Openeye Name: 1-[2-methyl-1-[(4-nitrophenyl)methoxycarbonyl]prop-1-enyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidine-2-sulfonic acid CAS Name: 1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobut-2-en-2-yl]-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-azetidinesulfonic acid IUPAC Name: 1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobut-2-en-2-yl]-4-oxo-3-[(2-phenylacetyl)amino]azetidine-2-sulfonic acid Traditional Name: 4-keto-1-[2-methyl-1-(4-nitrobenzyl)oxycarbonyl-prop-1-enyl]-3-[(2-phenylacetyl)amino]azetidine-2-sulfonic acid Formula: C23H23N3O9S MolecularWeight: 517.50842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)S(=O)(=O)O)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)S(=O)(=O)O)C

InChI

InChI=1S/C23H23N3O9S/c1-14(2)20(23(29)35-13-16-8-10-17(11-9-16)26(30)31)25-21(28)19(22(25)36(32,33)34)24-18(27)12-15-6-4-3-5-7-15/h3-11,19,22H,12-13H2,1-2H3,(H,24,27)(H,32,33,34)