4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid

Systemtic Name: 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid Openeye Name: 2-(3-isopropoxypropylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid IUPAC Name: 4-(4-methyl-2-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid Traditional Name: 2-(3-isopropoxypropylamino)-4-keto-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C17H25N3O6 MolecularWeight: 367.3969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6/c1-11(2)26-8-4-7-18-14(17(22)23)10-16(21)19-13-6-5-12(3)9-15(13)20(24)25/h5-6,9,11,14,18H,4,7-8,10H2,1-3H3,(H,19,21)(H,22,23)