3-(3,7-dinitro-5-oxidanylidene-10H-phenothiazin-1-yl)propanoic acid

Systemtic Name: 3-(3,7-dinitro-5-oxidanylidene-10H-phenothiazin-1-yl)propanoic acid Openeye Name: 3-(3,7-dinitro-5-oxo-10H-phenothiazin-1-yl)propanoic acid CAS Name: 3-(3,7-dinitro-5-oxo-10H-phenothiazin-1-yl)propanoic acid IUPAC Name: 3-(3,7-dinitro-5-oxo-10H-phenothiazin-1-yl)propanoic acid Traditional Name: 3-(5-keto-3,7-dinitro-10H-phenothiazin-1-yl)propionic acid Formula: C15H11N3O7S MolecularWeight: 377.32874

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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-])CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O7S/c19-14(20)4-1-8-5-10(18(23)24)7-13-15(8)16-11-3-2-9(17(21)22)6-12(11)26(13)25/h2-3,5-7,16H,1,4H2,(H,19,20)