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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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