N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C20H25N3O5 MolecularWeight: 387.4296

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)NC)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H25N3O5/c1-5-27-18-10-8-14(12-19(18)28-6-2)13(3)22-20(24)15-7-9-16(21-4)17(11-15)23(25)26/h7-13,21H,5-6H2,1-4H3,(H,22,24)/t13-/m0/s1