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

Systemtic Name: 1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-but-3-en-2-yl]-3-[(4-nitrophenyl)methoxycarbonylamino]-4-oxidanylidene-azetidine-2-sulfinic acid Openeye Name: 1-[2-methyl-1-[(4-nitrophenyl)methoxycarbonyl]allyl]-3-[(4-nitrophenyl)methoxycarbonylamino]-4-oxo-azetidine-2-sulfinic acid CAS Name: 1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobut-3-en-2-yl]-3-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-4-oxo-2-azetidinesulfinic acid IUPAC Name: 1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobut-3-en-2-yl]-3-[(4-nitrophenyl)methoxycarbonylamino]-4-oxoazetidine-2-sulfinic acid Traditional Name: 4-keto-1-[2-methyl-1-(4-nitrobenzyl)oxycarbonyl-allyl]-3-[(4-nitrobenzyl)oxycarbonylamino]azetidine-2-sulfinic acid Formula: C23H22N4O11S MolecularWeight: 562.50598

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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)OCC3=CC=C(C=C3)[N+](=O)[O-])S(=O)O

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C(C(C2=O)NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S(=O)O

InChI

InChI=1S/C23H22N4O11S/c1-13(2)19(22(29)37-11-14-3-7-16(8-4-14)26(31)32)25-20(28)18(21(25)39(35)36)24-23(30)38-12-15-5-9-17(10-6-15)27(33)34/h3-10,18-19,21H,1,11-12H2,2H3,(H,24,30)(H,35,36)