4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(3-isopropoxypropylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-(3-isopropoxypropylamino)-4-keto-butyric acid Formula: C16H22ClN3O6 MolecularWeight: 387.81538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O6/c1-10(2)26-7-3-6-18-14(16(22)23)9-15(21)19-13-8-11(20(24)25)4-5-12(13)17/h4-5,8,10,14,18H,3,6-7,9H2,1-2H3,(H,19,21)(H,22,23)