3-bis(oxidanidyl)azaniumylidene-7-nitro-5-oxidanylidene-phenothiazine-1-carboxylate

Systemtic Name: 3-bis(oxidanidyl)azaniumylidene-7-nitro-5-oxidanylidene-phenothiazine-1-carboxylate Openeye Name: 3-dioxidoiminio-7-nitro-5-oxo-phenothiazine-1-carboxylate CAS Name: 3-dioxidoiminio-7-nitro-5-oxo-1-phenothiazinecarboxylate IUPAC Name: 3-dioxidoazaniumylidene-7-nitro-5-oxophenothiazine-1-carboxylate Traditional Name: 3-dioxidoiminio-5-keto-7-nitro-phenothiazine-1-carboxylate Formula: C13H5N3O7S-2 MolecularWeight: 347.2597

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

InChI

InChI=1S/C13H6N3O7S/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-,14,17,18,21,22)/q-1/p-1