4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid

Systemtic Name: 4-[(2-nitrophenyl)amino]-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)butanoic acid Openeye Name: 2-(3-isopropoxypropylamino)-4-(2-nitroanilino)-4-oxo-butanoic acid CAS Name: 4-(2-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid IUPAC Name: 4-(2-nitroanilino)-4-oxo-2-(3-propan-2-yloxypropylamino)butanoic acid Traditional Name: 2-(3-isopropoxypropylamino)-4-keto-4-(2-nitroanilino)butyric acid Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O6/c1-11(2)25-9-5-8-17-13(16(21)22)10-15(20)18-12-6-3-4-7-14(12)19(23)24/h3-4,6-7,11,13,17H,5,8-10H2,1-2H3,(H,18,20)(H,21,22)