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

Systemtic Name: (4-cyanophenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4/c1-18-14-7-6-13(8-15(14)19(21)22)16(20)23-10-12-4-2-11(9-17)3-5-12/h2-8,18H,10H2,1H3