ethyl 4-nitrobenzoate; 3-methyl-4-phenyl-butanamide

Systemtic Name: ethyl 4-nitrobenzoate; 3-methyl-4-phenyl-butanamide Openeye Name: ethyl 4-nitrobenzoate; 3-methyl-4-phenyl-butanamide CAS Name: 3-methyl-4-phenylbutanamide; 4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-nitrobenzoate; 3-methyl-4-phenylbutanamide Traditional Name: 3-methyl-4-phenyl-butyramide; 4-nitrobenzoic acid ethyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO.C9H9NO4/c1-9(8-11(12)13)7-10-5-3-2-4-6-10;1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h2-6,9H,7-8H2,1H3,(H2,12,13);3-6H,2H2,1H3