3,7-dinitro-5-oxidanylidene-10H-phenothiazine-1-carboxylate

Systemtic Name: 3,7-dinitro-5-oxidanylidene-10H-phenothiazine-1-carboxylate Openeye Name: 3,7-dinitro-5-oxo-10H-phenothiazine-1-carboxylate CAS Name: 3,7-dinitro-5-oxo-10H-phenothiazine-1-carboxylate IUPAC Name: 3,7-dinitro-5-oxo-10H-phenothiazine-1-carboxylate Traditional Name: 5-keto-3,7-dinitro-10H-phenothiazine-1-carboxylate Formula: C13H6N3O7S- MolecularWeight: 348.26764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])S(=O)C3=C(N2)C(=CC(=C3)[N+](=O)[O-])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/h1-5,14H,(H,17,18)/p-1