methyl 3-(cyanomethyl)-2-(2-nitrophenyl)benzoate

Systemtic Name: methyl 3-(cyanomethyl)-2-(2-nitrophenyl)benzoate Openeye Name: methyl 3-(cyanomethyl)-2-(2-nitrophenyl)benzoate CAS Name: 3-(cyanomethyl)-2-(2-nitrophenyl)benzoic acid methyl ester IUPAC Name: methyl 3-(cyanomethyl)-2-(2-nitrophenyl)benzoate Traditional Name: 3-(cyanomethyl)-2-(2-nitrophenyl)benzoic acid methyl ester Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)CC#N)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)CC#N)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4/c1-22-16(19)13-7-4-5-11(9-10-17)15(13)12-6-2-3-8-14(12)18(20)21/h2-8H,9H2,1H3