3-(2-nitro-5-phenylmethoxy-phenyl)-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(2-nitro-5-phenylmethoxy-phenyl)-2-oxidanylidene-propanoic acid Openeye Name: 3-(5-benzyloxy-2-nitro-phenyl)-2-oxo-propanoic acid CAS Name: 3-(2-nitro-5-phenylmethoxyphenyl)-2-oxopropanoic acid IUPAC Name: 3-(2-nitro-5-phenylmethoxyphenyl)-2-oxopropanoic acid Traditional Name: 3-(5-benzoxy-2-nitro-phenyl)-2-keto-propionic acid Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)C(=O)O

InChI

InChI=1S/C16H13NO6/c18-15(16(19)20)9-12-8-13(6-7-14(12)17(21)22)23-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,20)