N,N-diethylethanamine; N-[(4-methoxyphenyl)-(3-nitrophenyl)methyl]benzamide

Systemtic Name: N,N-diethylethanamine; N-[(4-methoxyphenyl)-(3-nitrophenyl)methyl]benzamide Openeye Name: N,N-diethylethanamine; N-[(4-methoxyphenyl)-(3-nitrophenyl)methyl]benzamide CAS Name: N,N-diethylethanamine; N-[(4-methoxyphenyl)-(3-nitrophenyl)methyl]benzamide IUPAC Name: N,N-diethylethanamine; N-[(4-methoxyphenyl)-(3-nitrophenyl)methyl]benzamide Traditional Name: N-[(4-methoxyphenyl)-(3-nitrophenyl)methyl]benzamide; triethylamine Formula: C27H33N3O4 MolecularWeight: 463.56862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.COC1=CC=C(C=C1)C(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CC.COC1=CC=C(C=C1)C(C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4.C6H15N/c1-27-19-12-10-15(11-13-19)20(17-8-5-9-18(14-17)23(25)26)22-21(24)16-6-3-2-4-7-16;1-4-7(5-2)6-3/h2-14,20H,1H3,(H,22,24);4-6H2,1-3H3