(2-cyano-5-nitro-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (2-cyano-5-nitro-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (2-cyano-5-nitro-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (2-cyano-5-nitrophenyl) ester IUPAC Name: (2-cyano-5-nitrophenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (2-cyano-5-nitro-phenyl) ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H15N3O5/c1-11(2)17(22)20-14-6-3-12(4-7-14)18(23)26-16-9-15(21(24)25)8-5-13(16)10-19/h3-9,11H,1-2H3,(H,20,22)