cyanomethyl 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: cyanomethyl 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: cyanomethyl 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[4-(dimethylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoic acid cyanomethyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-20(2)15-8-7-12(11-16(15)21(24)25)17(22)13-5-3-4-6-14(13)18(23)26-10-9-19/h3-8,11H,10H2,1-2H3