2-chloranyl-2-methoxycarbonyl-4-nitro-3-phenyl-butanoate

Systemtic Name: 2-chloranyl-2-methoxycarbonyl-4-nitro-3-phenyl-butanoate Openeye Name: 2-chloro-2-methoxycarbonyl-4-nitro-3-phenyl-butanoate CAS Name: 2-chloro-2-methoxycarbonyl-4-nitro-3-phenylbutanoate IUPAC Name: 2-chloro-2-methoxycarbonyl-4-nitro-3-phenylbutanoate Traditional Name: 2-carbomethoxy-2-chloro-4-nitro-3-phenyl-butyrate Formula: C12H11ClNO6- MolecularWeight: 300.67184

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO6/c1-20-11(17)12(13,10(15)16)9(7-14(18)19)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,15,16)/p-1