3-[(2,6-dinitro-4-phenothiazin-10-ylcarbonyl-phenyl)amino]benzoic acid

Systemtic Name: 3-[(2,6-dinitro-4-phenothiazin-10-ylcarbonyl-phenyl)amino]benzoic acid Openeye Name: 3-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]benzoic acid CAS Name: 3-[2,6-dinitro-4-[oxo(10-phenothiazinyl)methyl]anilino]benzoic acid IUPAC Name: 3-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]benzoic acid Traditional Name: 3-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]benzoic acid Formula: C26H16N4O7S MolecularWeight: 528.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])NC5=CC=CC(=C5)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])NC5=CC=CC(=C5)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H16N4O7S/c31-25(28-18-8-1-3-10-22(18)38-23-11-4-2-9-19(23)28)16-13-20(29(34)35)24(21(14-16)30(36)37)27-17-7-5-6-15(12-17)26(32)33/h1-14,27H,(H,32,33)