cadmium(2+); 3-methanidylpyridine; N-(4-nitrophenyl)carbamate; chloride

Systemtic Name: cadmium(2+); 3-methanidylpyridine; N-(4-nitrophenyl)carbamate; chloride Openeye Name: cadmium(2+); 3-methanidylpyridine; N-(4-nitrophenyl)carbamate; chloride CAS Name: cadmium(2+); 3-methanidylpyridine; N-(4-nitrophenyl)carbamate; chloride IUPAC Name: cadmium(2+); 3-methanidylpyridine; N-(4-nitrophenyl)carbamate; chloride Traditional Name: cadmium(2+); 3-methanidylpyridine; N-(4-nitrophenyl)carbamate; chloride Formula: C20H16CdClN5O8-2 MolecularWeight: 602.23374

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CN=CC=C1.C1=CC(=CC=C1NC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1NC(=O)[O-])[N+](=O)[O-].[Cl-].[Cd+2]

Isomeric SMILES

[CH2-]C1=CN=CC=C1.C1=CC(=CC=C1NC(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1NC(=O)[O-])[N+](=O)[O-].[Cl-].[Cd+2]

InChI

InChI=1S/2C7H6N2O4.C6H6N.Cd.ClH/c2*10-7(11)8-5-1-3-6(4-2-5)9(12)13;1-6-3-2-4-7-5-6;;/h2*1-4,8H,(H,10,11);2-5H,1H2;;1H/q;;-1;+2;/p-3