2-[2-nitro-4-(phenylmethoxycarbonylamino)phenyl]propanedioic acid

Systemtic Name: 2-[2-nitro-4-(phenylmethoxycarbonylamino)phenyl]propanedioic acid Openeye Name: 2-[4-(benzyloxycarbonylamino)-2-nitro-phenyl]propanedioic acid CAS Name: 2-[2-nitro-4-(phenylmethoxycarbonylamino)phenyl]propanedioic acid IUPAC Name: 2-[2-nitro-4-(phenylmethoxycarbonylamino)phenyl]propanedioic acid Traditional Name: 2-[4-(benzyloxycarbonylamino)-2-nitro-phenyl]malonic acid Formula: C17H14N2O8 MolecularWeight: 374.30166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)C(C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)C(C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O8/c20-15(21)14(16(22)23)12-7-6-11(8-13(12)19(25)26)18-17(24)27-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,18,24)(H,20,21)(H,22,23)