2-[[(2-azanyl-2-oxidanylidene-ethyl)azaniumyl]methyl]-4,6-bis(chloranyl)phenolate

Systemtic Name: 2-[[(2-azanyl-2-oxidanylidene-ethyl)azaniumyl]methyl]-4,6-bis(chloranyl)phenolate Openeye Name: 2-[[(2-amino-2-oxo-ethyl)ammonio]methyl]-4,6-dichloro-phenolate CAS Name: 2-[[(2-amino-2-oxoethyl)ammonio]methyl]-4,6-dichlorophenolate IUPAC Name: 2-[[(2-amino-2-oxoethyl)azaniumyl]methyl]-4,6-dichlorophenolate Traditional Name: 2-[[(2-amino-2-keto-ethyl)ammonio]methyl]-4,6-dichloro-phenolate Formula: C9H10Cl2N2O2 MolecularWeight: 249.0939

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)[O-])C[NH2+]CC(=O)N)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)[O-])C[NH2+]CC(=O)N)Cl

InChI

InChI=1S/C9H10Cl2N2O2/c10-6-1-5(3-13-4-8(12)14)9(15)7(11)2-6/h1-2,13,15H,3-4H2,(H2,12,14)