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

Systemtic Name: 4-[(2-methoxy-4-nitro-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid Openeye Name: 2-(3-isopropoxypropylamino)-4-(2-methoxy-4-nitro-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-methoxy-4-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid IUPAC Name: 4-(2-methoxy-4-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid Traditional Name: 2-(3-isopropoxypropylamino)-4-keto-4-(2-methoxy-4-nitro-anilino)butyric acid Formula: C17H25N3O7 MolecularWeight: 383.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)C(=O)O

Isomeric SMILES

CC(C)OCCCNC(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)C(=O)O

InChI

InChI=1S/C17H25N3O7/c1-11(2)27-8-4-7-18-14(17(22)23)10-16(21)19-13-6-5-12(20(24)25)9-15(13)26-3/h5-6,9,11,14,18H,4,7-8,10H2,1-3H3,(H,19,21)(H,22,23)