4-[(3-hydroxyphenyl)carbamoyl]-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid

Systemtic Name: 4-[(3-hydroxyphenyl)carbamoyl]-6-oxidanylidene-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Openeye Name: 4-[(3-hydroxyphenyl)carbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid CAS Name: 4-[(3-hydroxyanilino)-oxomethyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid IUPAC Name: 4-[(3-hydroxyphenyl)carbamoyl]-6-oxo-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Traditional Name: 4-[(3-hydroxyphenyl)carbamoyl]-6-keto-4,7-diazabicyclo[3.2.0]heptane-7-sulfonic acid Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NC3=CC(=CC=C3)O

Isomeric SMILES

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NC3=CC(=CC=C3)O

InChI

InChI=1S/C12H13N3O6S/c16-8-3-1-2-7(6-8)13-12(18)14-5-4-9-10(14)11(17)15(9)22(19,20)21/h1-3,6,9-10,16H,4-5H2,(H,13,18)(H,19,20,21)