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

Systemtic Name: 8-[3-[3,4-bis(oxidanyl)phenyl]propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 8-[3-(3,4-dihydroxyphenyl)propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 8-[3-(3,4-dihydroxyphenyl)propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 8-[3-(3,4-dihydroxyphenyl)propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 8-[3-(3,4-dihydroxyphenyl)propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Formula: C22H18N2O7 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCCC2=CC3=C(C=C2)OC4=C(N3)C(=CC(=C4)[N+](=O)[O-])C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCCC2=CC3=C(C=C2)OC4=C(N3)C(=CC(=C4)[N+](=O)[O-])C(=O)O)O)O

InChI

InChI=1S/C22H18N2O7/c25-17-6-4-13(9-18(17)26)3-1-2-12-5-7-19-16(8-12)23-21-15(22(27)28)10-14(24(29)30)11-20(21)31-19/h4-11,23,25-26H,1-3H2,(H,27,28)