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

Systemtic Name: 2-[2-(2-hydroxyethyloxy)ethylamino]-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[2-(2-hydroxyethoxy)ethylamino]-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-[2-(2-hydroxyethoxy)ethylamino]-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-[2-(2-hydroxyethoxy)ethylamino]-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid Traditional Name: 2-[2-(2-hydroxyethoxy)ethylamino]-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C15H21N3O8 MolecularWeight: 371.34254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCOCCO

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCOCCO

InChI

InChI=1S/C15H21N3O8/c1-25-13-3-2-10(18(23)24)8-11(13)17-14(20)9-12(15(21)22)16-4-6-26-7-5-19/h2-3,8,12,16,19H,4-7,9H2,1H3,(H,17,20)(H,21,22)