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

Systemtic Name: methyl 4-[[(4-cyano-2-nitro-phenyl)-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[(4-cyano-N-methyl-2-nitro-anilino)methyl]benzoate CAS Name: 4-[(4-cyano-N-methyl-2-nitroanilino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-cyano-N-methyl-2-nitroanilino)methyl]benzoate Traditional Name: 4-[(4-cyano-N-methyl-2-nitro-anilino)methyl]benzoic acid methyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4/c1-19(11-12-3-6-14(7-4-12)17(21)24-2)15-8-5-13(10-18)9-16(15)20(22)23/h3-9H,11H2,1-2H3