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

Systemtic Name: 2-[[4-[(2,6-dinitro-4-phenothiazin-10-ylcarbonyl-phenyl)amino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[2,6-dinitro-4-[oxo(10-phenothiazinyl)methyl]anilino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]benzoyl]amino]acetic acid Formula: C28H19N5O8S MolecularWeight: 585.54416

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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=C(C=C5)C(=O)NCC(=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=C(C=C5)C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C28H19N5O8S/c34-25(35)15-29-27(36)16-9-11-18(12-10-16)30-26-21(32(38)39)13-17(14-22(26)33(40)41)28(37)31-19-5-1-3-7-23(19)42-24-8-4-2-6-20(24)31/h1-14,30H,15H2,(H,29,36)(H,34,35)