4-[2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenoxy)propoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenoxy)propoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(2,2-dichloroacetyl)amino]-3-(4-nitrophenoxy)propoxy]-4-oxo-butanoic acid CAS Name: 4-[2-[(2,2-dichloro-1-oxoethyl)amino]-3-(4-nitrophenoxy)propoxy]-4-oxobutanoic acid IUPAC Name: 4-[2-[(2,2-dichloroacetyl)amino]-3-(4-nitrophenoxy)propoxy]-4-oxobutanoic acid Traditional Name: 4-[2-[(2,2-dichloroacetyl)amino]-3-(4-nitrophenoxy)propoxy]-4-keto-butyric acid Formula: C15H16Cl2N2O8 MolecularWeight: 423.20214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl

InChI

InChI=1S/C15H16Cl2N2O8/c16-14(17)15(23)18-9(8-27-13(22)6-5-12(20)21)7-26-11-3-1-10(2-4-11)19(24)25/h1-4,9,14H,5-8H2,(H,18,23)(H,20,21)