2-nitro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)phenolate

Systemtic Name: 2-nitro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)phenolate Openeye Name: 2-nitro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-ylcarbamoyl)phenolate CAS Name: 2-nitro-5-[oxo-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-ylamino)methyl]phenolate IUPAC Name: 2-nitro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)phenolate Traditional Name: 2-nitro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-ylcarbamoyl)phenolate Formula: C15H14N3O4S- MolecularWeight: 332.35436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=N2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=N2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H15N3O4S/c19-12-8-9(6-7-11(12)18(21)22)14(20)17-15-16-10-4-2-1-3-5-13(10)23-15/h6-8,19H,1-5H2,(H,16,17,20)/p-1