4-(cyclopropylamino)-N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[1-(4-ethoxy-3-methoxy-phenyl)ethyl]-3-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O5/c1-4-29-19-10-6-14(12-20(19)28-3)13(2)22-21(25)15-5-9-17(23-16-7-8-16)18(11-15)24(26)27/h5-6,9-13,16,23H,4,7-8H2,1-3H3,(H,22,25)