4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-2-(oxolan-2-ylmethylamino)butanoic acid

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-2-(oxolan-2-ylmethylamino)butanoic acid Openeye Name: 4-(4-methyl-2-nitro-anilino)-4-oxo-2-(tetrahydrofuran-2-ylmethylamino)butanoic acid CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(2-oxolanylmethylamino)butanoic acid IUPAC Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(oxolan-2-ylmethylamino)butanoic acid Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)-2-(tetrahydrofurfurylamino)butyric acid Formula: C16H21N3O6 MolecularWeight: 351.35444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6/c1-10-4-5-12(14(7-10)19(23)24)18-15(20)8-13(16(21)22)17-9-11-3-2-6-25-11/h4-5,7,11,13,17H,2-3,6,8-9H2,1H3,(H,18,20)(H,21,22)