ethyl 3-[3-[2,6-bis(chloranyl)phenyl]propanoylamino]-4-nitro-benzoate

Systemtic Name: ethyl 3-[3-[2,6-bis(chloranyl)phenyl]propanoylamino]-4-nitro-benzoate Openeye Name: ethyl 3-[3-(2,6-dichlorophenyl)propanoylamino]-4-nitro-benzoate CAS Name: 3-[[3-(2,6-dichlorophenyl)-1-oxopropyl]amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2,6-dichlorophenyl)propanoylamino]-4-nitrobenzoate Traditional Name: 3-[3-(2,6-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=CC=C2Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=C(C=CC=C2Cl)Cl

InChI

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