2-(2-chloranylethanoylamino)-2-[[4-nitro-2-(phenylcarbonyl)phenyl]diazenyl]propanedioic acid

Systemtic Name: 2-(2-chloranylethanoylamino)-2-[[4-nitro-2-(phenylcarbonyl)phenyl]diazenyl]propanedioic acid Openeye Name: 2-(2-benzoyl-4-nitro-phenyl)azo-2-[(2-chloroacetyl)amino]propanedioic acid CAS Name: 2-(2-benzoyl-4-nitrophenyl)azo-2-[(2-chloro-1-oxoethyl)amino]propanedioic acid IUPAC Name: 2-[(2-benzoyl-4-nitrophenyl)diazenyl]-2-[(2-chloroacetyl)amino]propanedioic acid Traditional Name: 2-(2-benzoyl-4-nitro-phenyl)azo-2-[(2-chloroacetyl)amino]malonic acid Formula: C18H13ClN4O8 MolecularWeight: 448.77082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N=NC(C(=O)O)(C(=O)O)NC(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N=NC(C(=O)O)(C(=O)O)NC(=O)CCl

InChI

InChI=1S/C18H13ClN4O8/c19-9-14(24)20-18(16(26)27,17(28)29)22-21-13-7-6-11(23(30)31)8-12(13)15(25)10-4-2-1-3-5-10/h1-8H,9H2,(H,20,24)(H,26,27)(H,28,29)