[3-(3,4-dichlorophenyl)-3-oxidanyl-propyl] hydrogen carbonate; 3-nitro-10H-phenoxazine

Systemtic Name: [3-(3,4-dichlorophenyl)-3-oxidanyl-propyl] hydrogen carbonate; 3-nitro-10H-phenoxazine Openeye Name: [3-(3,4-dichlorophenyl)-3-hydroxy-propyl] hydrogen carbonate; 3-nitro-10H-phenoxazine CAS Name: carbonic acid [3-(3,4-dichlorophenyl)-3-hydroxypropyl] ester; 3-nitro-10H-phenoxazine IUPAC Name: [3-(3,4-dichlorophenyl)-3-hydroxypropyl] hydrogen carbonate; 3-nitro-10H-phenoxazine Traditional Name: carbonic acid [3-(3,4-dichlorophenyl)-3-hydroxy-propyl] ester; 3-nitro-10H-phenoxazine Formula: C22H18Cl2N2O7 MolecularWeight: 493.29352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=C(O2)C=C(C=C3)[N+](=O)[O-].C1=CC(=C(C=C1C(CCOC(=O)O)O)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)NC3=C(O2)C=C(C=C3)[N+](=O)[O-].C1=CC(=C(C=C1C(CCOC(=O)O)O)Cl)Cl

InChI

InChI=1S/C12H8N2O3.C10H10Cl2O4/c15-14(16)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)13-10;11-7-2-1-6(5-8(7)12)9(13)3-4-16-10(14)15/h1-7,13H;1-2,5,9,13H,3-4H2,(H,14,15)