3-[2-(2-azidophenyl)ethanoylamino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[2-(2-azidophenyl)ethanoylamino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(2-azidophenyl)acetyl]amino]-3-methoxy-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(2-azidophenyl)-1-oxoethyl]amino]-3-methoxy-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2-azidophenyl)acetyl]amino]-3-methoxy-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(2-azidophenyl)acetyl]amino]-2-keto-3-methoxy-azetidine-1-sulfonic acid Formula: C12H13N5O6S MolecularWeight: 355.32652

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CN(C1=O)S(=O)(=O)O)NC(=O)CC2=CC=CC=C2N=[N+]=[N-]

Isomeric SMILES

COC1(CN(C1=O)S(=O)(=O)O)NC(=O)CC2=CC=CC=C2N=[N+]=[N-]

InChI

InChI=1S/C12H13N5O6S/c1-23-12(7-17(11(12)19)24(20,21)22)14-10(18)6-8-4-2-3-5-9(8)15-16-13/h2-5H,6-7H2,1H3,(H,14,18)(H,20,21,22)