[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl] ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-3-10-22(12-15-6-4-14(2)5-7-15)19(24)13-28-20(25)17-9-8-16(23(26)27)11-18(17)21/h4-9,11H,3,10,12-13H2,1-2H3