methyl 5-[[(2-cyano-4-nitro-phenyl)amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(2-cyano-4-nitro-phenyl)amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(2-cyano-4-nitro-anilino)methyl]-2-methoxy-benzoate CAS Name: 5-[(2-cyano-4-nitroanilino)methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(2-cyano-4-nitroanilino)methyl]-2-methoxybenzoate Traditional Name: 5-[(2-cyano-4-nitro-anilino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C(=O)OC

InChI

InChI=1S/C17H15N3O5/c1-24-16-6-3-11(7-14(16)17(21)25-2)10-19-15-5-4-13(20(22)23)8-12(15)9-18/h3-8,19H,10H2,1-2H3