2-[2-(2-hydroxyethyloxy)ethylamino]-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-(2-hydroxyethyloxy)ethylamino]-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(2-hydroxyethoxy)ethylamino]-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-[2-(2-hydroxyethoxy)ethylamino]-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(2-hydroxyethoxy)ethylamino]-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-[2-(2-hydroxyethoxy)ethylamino]-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C15H21N3O7 MolecularWeight: 355.34314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O7/c1-10-2-3-11(13(8-10)18(23)24)17-14(20)9-12(15(21)22)16-4-6-25-7-5-19/h2-3,8,12,16,19H,4-7,9H2,1H3,(H,17,20)(H,21,22)