[2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-[(4-ethoxybenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN2O6/c1-3-27-15-7-4-13(5-8-15)11-21(2)18(23)12-28-19(24)16-10-14(22(25)26)6-9-17(16)20/h4-10H,3,11-12H2,1-2H3