[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[(3-chlorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(C)CC2=CC(=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5/c1-12-8-14(6-7-16(12)21(24)25)18(23)26-11-17(22)20(2)10-13-4-3-5-15(19)9-13/h3-9H,10-11H2,1-2H3