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

Systemtic Name: 3-acetamido-1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-but-3-en-2-yl]-4-oxidanylidene-azetidine-2-sulfinic acid Openeye Name: 3-acetamido-1-[2-methyl-1-[(4-nitrophenyl)methoxycarbonyl]allyl]-4-oxo-azetidine-2-sulfinic acid CAS Name: 3-acetamido-1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobut-3-en-2-yl]-4-oxo-2-azetidinesulfinic acid IUPAC Name: 3-acetamido-1-[3-methyl-1-[(4-nitrophenyl)methoxy]-1-oxobut-3-en-2-yl]-4-oxoazetidine-2-sulfinic acid Traditional Name: 3-acetamido-4-keto-1-[2-methyl-1-(4-nitrobenzyl)oxycarbonyl-allyl]azetidine-2-sulfinic acid Formula: C17H19N3O8S MolecularWeight: 425.41306

Click to see the large picture

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)C)S(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O8S/c1-9(2)14(19-15(22)13(18-10(3)21)16(19)29(26)27)17(23)28-8-11-4-6-12(7-5-11)20(24)25/h4-7,13-14,16H,1,8H2,2-3H3,(H,18,21)(H,26,27)