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

Systemtic Name: ethyl 3-[3-(2,4-dichlorophenyl)propanoylamino]-4-nitro-benzoate Openeye Name: ethyl 3-[3-(2,4-dichlorophenyl)propanoylamino]-4-nitro-benzoate CAS Name: 3-[[3-(2,4-dichlorophenyl)-1-oxopropyl]amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2,4-dichlorophenyl)propanoylamino]-4-nitrobenzoate Traditional Name: 3-[3-(2,4-dichlorophenyl)propanoylamino]-4-nitro-benzoic acid ethyl ester Formula: C18H16Cl2N2O5 MolecularWeight: 411.23604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O5/c1-2-27-18(24)12-4-7-16(22(25)26)15(9-12)21-17(23)8-5-11-3-6-13(19)10-14(11)20/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,21,23)