[2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-[1-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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