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

Systemtic Name: 8-[3-(3,4-dimethylphenyl)propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Openeye Name: 8-[3-(3,4-dimethylphenyl)propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid CAS Name: 8-[3-(3,4-dimethylphenyl)propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid IUPAC Name: 8-[3-(3,4-dimethylphenyl)propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Traditional Name: 8-[3-(3,4-dimethylphenyl)propyl]-3-nitro-10H-phenoxazine-1-carboxylic acid Formula: C24H22N2O5 MolecularWeight: 418.44188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCC2=CC3=C(C=C2)OC4=C(N3)C(=CC(=C4)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCC2=CC3=C(C=C2)OC4=C(N3)C(=CC(=C4)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C24H22N2O5/c1-14-6-7-16(10-15(14)2)4-3-5-17-8-9-21-20(11-17)25-23-19(24(27)28)12-18(26(29)30)13-22(23)31-21/h6-13,25H,3-5H2,1-2H3,(H,27,28)