[2-[2-methoxyethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O6/c1-27-10-9-21(12-14-5-3-2-4-6-14)18(23)13-28-19(24)16-11-15(22(25)26)7-8-17(16)20/h2-8,11H,9-10,12-13H2,1H3