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(4-cyanophenyl)methyl 2-methyl-3-nitro-benzoate

(4-cyanophenyl)methyl 2-methyl-3-nitro-benzoate

Systemtic Name:(4-cyanophenyl)methyl 2-methyl-3-nitro-benzoate
Openeye Name:(4-cyanophenyl)methyl 2-methyl-3-nitro-benzoate
CAS Name:2-methyl-3-nitrobenzoic acid (4-cyanophenyl)methyl ester
IUPAC Name:(4-cyanophenyl)methyl 2-methyl-3-nitrobenzoate
Traditional Name:2-methyl-3-nitro-benzoic acid (4-cyanobenzyl) ester
Formula: C16H12N2O4
MolecularWeight: 296.27748
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C#N


Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C#N


InChI

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


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