methyl 3-[[2-(dimethylaminomethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(dimethylaminomethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(dimethylaminomethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(dimethylaminomethyl)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(dimethylaminomethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(dimethylaminomethyl)benzyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H21N3O5/c1-21(2)12-14-7-5-4-6-13(14)11-20-18(23)15-8-16(19(24)27-3)10-17(9-15)22(25)26/h4-10H,11-12H2,1-3H3,(H,20,23)