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

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-2-(1-phenylethylamino)butanoic acid Openeye Name: 4-(4-methyl-2-nitro-anilino)-4-oxo-2-(1-phenylethylamino)butanoic acid CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(1-phenylethylamino)butanoic acid IUPAC Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(1-phenylethylamino)butanoic acid Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)-2-(1-phenylethylamino)butyric acid Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NC(C)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NC(C)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-12-8-9-15(17(10-12)22(26)27)21-18(23)11-16(19(24)25)20-13(2)14-6-4-3-5-7-14/h3-10,13,16,20H,11H2,1-2H3,(H,21,23)(H,24,25)