4-[(2-chloranyl-5-nitro-phenyl)amino]-2-[2-(2-hydroxyethyloxy)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-[2-(2-hydroxyethyloxy)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-[2-(2-hydroxyethoxy)ethylamino]-4-keto-butyric acid Formula: C14H18ClN3O7 MolecularWeight: 375.76162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O7/c15-10-2-1-9(18(23)24)7-11(10)17-13(20)8-12(14(21)22)16-3-5-25-6-4-19/h1-2,7,12,16,19H,3-6,8H2,(H,17,20)(H,21,22)