(4-cyano-2-methoxy-phenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C#N)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C#N)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5/c1-10-7-12(4-5-13(10)18(20)21)16(19)23-14-6-3-11(9-17)8-15(14)22-2/h3-8H,1-2H3