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

Systemtic Name: [2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[(4-ethylphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-[(4-ethylbenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN2O5/c1-3-13-4-6-14(7-5-13)11-21(2)18(23)12-27-19(24)16-10-15(22(25)26)8-9-17(16)20/h4-10H,3,11-12H2,1-2H3