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

Systemtic Name: 1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-but-3-en-2-yl]-4-oxidanylidene-3-(2-phenylethanoylamino)azetidine-2-sulfinic acid Openeye Name: 1-[2-methyl-1-[(4-nitrophenyl)methoxycarbonyl]allyl]-4-oxo-3-[(2-phenylacetyl)amino]azetidine-2-sulfinic acid CAS Name: 1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobut-3-en-2-yl]-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-2-azetidinesulfinic acid IUPAC Name: 1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobut-3-en-2-yl]-4-oxo-3-[(2-phenylacetyl)amino]azetidine-2-sulfinic acid Traditional Name: 4-keto-1-[2-methyl-1-(4-nitrobenzyl)oxycarbonyl-allyl]-3-[(2-phenylacetyl)amino]azetidine-2-sulfinic acid Formula: C23H23N3O8S MolecularWeight: 501.50902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O8S/c1-14(2)20(23(29)34-13-16-8-10-17(11-9-16)26(30)31)25-21(28)19(22(25)35(32)33)24-18(27)12-15-6-4-3-5-7-15/h3-11,19-20,22H,1,12-13H2,2H3,(H,24,27)(H,32,33)