2-methoxycarbonyl-4-nitro-3-phenyl-butanoic acid

Systemtic Name: 2-methoxycarbonyl-4-nitro-3-phenyl-butanoic acid Openeye Name: 2-methoxycarbonyl-4-nitro-3-phenyl-butanoic acid CAS Name: 2-methoxycarbonyl-4-nitro-3-phenylbutanoic acid IUPAC Name: 2-methoxycarbonyl-4-nitro-3-phenylbutanoic acid Traditional Name: 2-carbomethoxy-4-nitro-3-phenyl-butyric acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-19-12(16)10(11(14)15)9(7-13(17)18)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,14,15)