[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H18Cl2N2O5 MolecularWeight: 425.26262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC(C)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC(C)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18Cl2N2O5/c1-10-8-13(4-7-17(10)23(26)27)19(25)28-12(3)18(24)22-11(2)15-6-5-14(20)9-16(15)21/h4-9,11-12H,1-3H3,(H,22,24)