copper; benzene-1,2-diamine; 4-chloranyl-3-nitro-benzoate; chloride

Systemtic Name: copper; benzene-1,2-diamine; 4-chloranyl-3-nitro-benzoate; chloride Openeye Name: copper; benzene-1,2-diamine; 4-chloro-3-nitro-benzoate; chloride CAS Name: copper; benzene-1,2-diamine; 4-chloro-3-nitrobenzoate; chloride IUPAC Name: copper; benzene-1,2-diamine; 4-chloro-3-nitrobenzoate; chloride Traditional Name: cupric; 4-chloro-3-nitro-benzoate; o-phenylenediamine; chloride Formula: C13H11Cl2CuN3O4 MolecularWeight: 407.69614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)N.C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])Cl.[Cl-].[Cu+2]

Isomeric SMILES

C1=CC=C(C(=C1)N)N.C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])Cl.[Cl-].[Cu+2]

InChI

InChI=1S/C7H4ClNO4.C6H8N2.ClH.Cu/c8-5-2-1-4(7(10)11)3-6(5)9(12)13;7-5-3-1-2-4-6(5)8;;/h1-3H,(H,10,11);1-4H,7-8H2;1H;/q;;;+2/p-2