1-carboxy-7-nitro-N-oxidanyl-5-oxidanylidene-phenothiazin-3-imine oxide

Systemtic Name: 1-carboxy-7-nitro-N-oxidanyl-5-oxidanylidene-phenothiazin-3-imine oxide Openeye Name: 1-carboxy-N-hydroxy-7-nitro-5-oxo-phenothiazin-3-imine oxide CAS Name: 1-carboxy-N-hydroxy-7-nitro-5-oxo-3-phenothiazinimine oxide IUPAC Name: 1-carboxy-N-hydroxy-7-nitro-5-oxophenothiazin-3-imine oxide Traditional Name: 1-carboxy-N-hydroxy-5-keto-7-nitro-phenothiazin-3-imine oxide Formula: C13H7N3O7S MolecularWeight: 349.27558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])S(=O)C3=CC(=[N+](O)[O-])C=C(C3=N2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])S(=O)C3=C/C(=[N+](/O)\[O-])/C=C(C3=N2)C(=O)O

InChI

InChI=1S/C13H7N3O7S/c17-13(18)8-3-7(16(21)22)5-11-12(8)14-9-2-1-6(15(19)20)4-10(9)24(11)23/h1-5H,(H,17,18)(H,21,22)