[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H18ClN3O5/c1-20-16-6-5-14(22(25)26)10-15(16)18(24)27-11-17(23)21-8-7-12-3-2-4-13(19)9-12/h2-6,9-10,20H,7-8,11H2,1H3,(H,21,23)