[2-(dimethylaminomethyl)phenyl]methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-(dimethylaminomethyl)phenyl]methyl 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(dimethylaminomethyl)phenyl]methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(dimethylaminomethyl)phenyl]methyl ester IUPAC Name: [2-(dimethylaminomethyl)phenyl]methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(dimethylaminomethyl)benzyl] ester Formula: C17H17ClN2O4 MolecularWeight: 348.78088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(C)CC1=CC=CC=C1COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN2O4/c1-19(2)10-12-5-3-4-6-13(12)11-24-17(21)15-8-7-14(20(22)23)9-16(15)18/h3-9H,10-11H2,1-2H3