sodium 4-[2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenoxy)propoxy]-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-[2-[2,2-bis(chloranyl)ethanoylamino]-3-(4-nitrophenoxy)propoxy]-4-oxidanylidene-butanoate Openeye Name: sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-(4-nitrophenoxy)propoxy]-4-oxo-butanoate CAS Name: sodium 4-[2-[(2,2-dichloro-1-oxoethyl)amino]-3-(4-nitrophenoxy)propoxy]-4-oxobutanoate IUPAC Name: sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-(4-nitrophenoxy)propoxy]-4-oxobutanoate Traditional Name: sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-(4-nitrophenoxy)propoxy]-4-keto-butyrate Formula: C15H15Cl2N2NaO8 MolecularWeight: 445.18397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16Cl2N2O8.Na/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);/q;+1/p-1