(2S)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethanoylamino]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethanoylamino]-3-phenyl-propanamide Openeye Name: (2S)-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)acetyl]amino]-3-phenyl-propanamide CAS Name: (2S)-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoethyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)acetyl]amino]-3-phenylpropanamide Traditional Name: (2S)-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)acetyl]amino]-3-phenyl-propionamide Formula: C18H17N3O6 MolecularWeight: 371.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c19-18(23)13(6-11-4-2-1-3-5-11)20-17(22)8-12-7-15-16(27-10-26-15)9-14(12)21(24)25/h1-5,7,9,13H,6,8,10H2,(H2,19,23)(H,20,22)/t13-/m0/s1