2-[3-(3,4-dichlorophenyl)-3-oxidanyl-propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid

Systemtic Name: 2-[3-(3,4-dichlorophenyl)-3-oxidanyl-propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 2-[3-(3,4-dichlorophenyl)-3-hydroxy-propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 2-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 2-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 2-[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=CC=C2C(=C1)NC3=C(O2)C=C(C(=C3C(=O)O)CCC(C4=CC(=C(C=C4)Cl)Cl)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC3=C(O2)C=C(C(=C3C(=O)O)CCC(C4=CC(=C(C=C4)Cl)Cl)O)[N+](=O)[O-]

InChI

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