[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H16Cl2N2O5 MolecularWeight: 411.23604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16Cl2N2O5/c1-11-8-13(3-5-16(11)22(25)26)18(24)27-10-17(23)21-7-6-12-2-4-14(19)9-15(12)20/h2-5,8-9H,6-7,10H2,1H3,(H,21,23)