7-[3-(3,4-dichlorophenyl)-3-oxidanyl-propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid

Systemtic Name: 7-[3-(3,4-dichlorophenyl)-3-oxidanyl-propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 7-[3-(3,4-dichlorophenyl)-3-hydroxy-propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 7-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 7-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 7-[3-(3,4-dichlorophenyl)-3-hydroxy-propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Formula: C22H16Cl2N2O6 MolecularWeight: 475.27824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCC(C3=CC(=C(C=C3)Cl)Cl)O)OC4=C(N2)C(=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1CCC(C3=CC(=C(C=C3)Cl)Cl)O)OC4=C(N2)C(=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H16Cl2N2O6/c23-15-4-3-12(8-16(15)24)18(27)6-2-11-1-5-17-19(7-11)32-20-10-13(26(30)31)9-14(22(28)29)21(20)25-17/h1,3-5,7-10,18,25,27H,2,6H2,(H,28,29)