8-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid

Systemtic Name: 8-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 8-[2-(3,4-dihydroxyphenyl)ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 8-[2-(3,4-dihydroxyphenyl)ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 8-[2-(3,4-dihydroxyphenyl)ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 8-[2-(3,4-dihydroxyphenyl)ethyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC2=CC3=C(C=C2)OC4=C(N3)C(=CC(=C4)[N+](=O)[O-])C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC2=CC3=C(C=C2)OC4=C(N3)C(=CC(=C4)[N+](=O)[O-])C(=O)O)O)O

InChI

InChI=1S/C21H16N2O7/c24-16-5-3-12(8-17(16)25)2-1-11-4-6-18-15(7-11)22-20-14(21(26)27)9-13(23(28)29)10-19(20)30-18/h3-10,22,24-25H,1-2H2,(H,26,27)