[2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-[(4-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-[(4-chlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17ClN2O6/c1-20(10-12-3-5-13(19)6-4-12)17(22)11-27-18(23)15-9-14(21(24)25)7-8-16(15)26-2/h3-9H,10-11H2,1-2H3