2-[ethyl-(phenylmethyl)amino]-1-(4-nitrophenyl)ethanol; 2-methylpropanamide

Systemtic Name: 2-[ethyl-(phenylmethyl)amino]-1-(4-nitrophenyl)ethanol; 2-methylpropanamide Openeye Name: 2-[benzyl(ethyl)amino]-1-(4-nitrophenyl)ethanol; 2-methylpropanamide CAS Name: 2-[ethyl-(phenylmethyl)amino]-1-(4-nitrophenyl)ethanol; 2-methylpropanamide IUPAC Name: 2-[benzyl(ethyl)amino]-1-(4-nitrophenyl)ethanol; 2-methylpropanamide Traditional Name: 2-[benzyl(ethyl)amino]-1-(4-nitrophenyl)ethanol; isobutyramide Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CC(C2=CC=C(C=C2)[N+](=O)[O-])O.CC(C)C(=O)N

Isomeric SMILES

CCN(CC1=CC=CC=C1)CC(C2=CC=C(C=C2)[N+](=O)[O-])O.CC(C)C(=O)N

InChI

InChI=1S/C17H20N2O3.C4H9NO/c1-2-18(12-14-6-4-3-5-7-14)13-17(20)15-8-10-16(11-9-15)19(21)22;1-3(2)4(5)6/h3-11,17,20H,2,12-13H2,1H3;3H,1-2H3,(H2,5,6)