[2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

Isomeric SMILES

CN(C)C(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NCC2=CC=CC=C2Cl

InChI

InChI=1S/C18H18ClN3O5/c1-21(2)17(23)11-27-18(24)14-9-13(22(25)26)7-8-16(14)20-10-12-5-3-4-6-15(12)19/h3-9,20H,10-11H2,1-2H3