[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[1-(3,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H16Cl2N2O6 MolecularWeight: 427.23544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O6/c1-10(11-3-5-13(19)14(20)7-11)21-17(23)9-28-18(24)12-4-6-16(27-2)15(8-12)22(25)26/h3-8,10H,9H2,1-2H3,(H,21,23)