(phenylmethyl) 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (phenylmethyl) 4-(dimethylamino)-3-nitro-benzoate Openeye Name: benzyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid benzyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-17(2)14-9-8-13(10-15(14)18(20)21)16(19)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3