13-[[4-nitro-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-13-oxidanylidene-tridecanoic acid

Systemtic Name: 13-[[4-nitro-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]amino]-13-oxidanylidene-tridecanoic acid Openeye Name: 13-[2-(4-hydroxy-4-oxo-butoxy)-4-nitro-anilino]-13-oxo-tridecanoic acid CAS Name: 13-[2-(4-hydroxy-4-oxobutoxy)-4-nitroanilino]-13-oxotridecanoic acid IUPAC Name: 13-[2-(4-hydroxy-4-oxobutoxy)-4-nitroanilino]-13-oxotridecanoic acid Traditional Name: 13-[2-(4-hydroxy-4-keto-butoxy)-4-nitro-anilino]-13-keto-tridecanoic acid Formula: C23H34N2O8 MolecularWeight: 466.52466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)O)NC(=O)CCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)O)NC(=O)CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C23H34N2O8/c26-21(11-8-6-4-2-1-3-5-7-9-12-22(27)28)24-19-15-14-18(25(31)32)17-20(19)33-16-10-13-23(29)30/h14-15,17H,1-13,16H2,(H,24,26)(H,27,28)(H,29,30)