methyl 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-nitro-benzoate

Systemtic Name: methyl 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-nitro-benzoate Openeye Name: methyl 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-nitro-benzoate CAS Name: 2-[[3-(2,4-dichlorophenyl)-1-oxopropyl]amino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-nitrobenzoate Traditional Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-nitro-benzoic acid methyl ester Formula: C17H14Cl2N2O5 MolecularWeight: 397.20946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H14Cl2N2O5/c1-26-17(23)12-3-2-4-14(21(24)25)16(12)20-15(22)8-6-10-5-7-11(18)9-13(10)19/h2-5,7,9H,6,8H2,1H3,(H,20,22)