4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(1-phenylethylamino)butanoic acid

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-2-(1-phenylethylamino)butanoic acid Openeye Name: 4-(2-methoxy-5-nitro-anilino)-4-oxo-2-(1-phenylethylamino)butanoic acid CAS Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(1-phenylethylamino)butanoic acid IUPAC Name: 4-(2-methoxy-5-nitroanilino)-4-oxo-2-(1-phenylethylamino)butanoic acid Traditional Name: 4-keto-4-(2-methoxy-5-nitro-anilino)-2-(1-phenylethylamino)butyric acid Formula: C19H21N3O6 MolecularWeight: 387.38654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C(=O)O

InChI

InChI=1S/C19H21N3O6/c1-12(13-6-4-3-5-7-13)20-16(19(24)25)11-18(23)21-15-10-14(22(26)27)8-9-17(15)28-2/h3-10,12,16,20H,11H2,1-2H3,(H,21,23)(H,24,25)