4-(2-cyanophenyl)-3-methyl-butanamide; ethyl 4-nitrobenzoate

Systemtic Name: 4-(2-cyanophenyl)-3-methyl-butanamide; ethyl 4-nitrobenzoate Openeye Name: 4-(2-cyanophenyl)-3-methyl-butanamide; ethyl 4-nitrobenzoate CAS Name: 4-(2-cyanophenyl)-3-methylbutanamide; 4-nitrobenzoic acid ethyl ester IUPAC Name: 4-(2-cyanophenyl)-3-methylbutanamide; ethyl 4-nitrobenzoate Traditional Name: 4-(2-cyanophenyl)-3-methyl-butyramide; 4-nitrobenzoic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].CC(CC1=CC=CC=C1C#N)CC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].CC(CC1=CC=CC=C1C#N)CC(=O)N

InChI

InChI=1S/C12H14N2O.C9H9NO4/c1-9(7-12(14)15)6-10-4-2-3-5-11(10)8-13;1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h2-5,9H,6-7H2,1H3,(H2,14,15);3-6H,2H2,1H3