[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-12-11-14(9-10-15(12)20(23)24)18(22)25-16(17(21)19(2)3)13-7-5-4-6-8-13/h4-11,16H,1-3H3