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

Systemtic Name: 2-(3-methoxypropylamino)-4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(3-methoxypropylamino)-4-(4-methyl-2-nitro-anilino)-4-oxo-butanoic acid CAS Name: 2-(3-methoxypropylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid IUPAC Name: 2-(3-methoxypropylamino)-4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-2-(3-methoxypropylamino)-4-(4-methyl-2-nitro-anilino)butyric acid Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O6/c1-10-4-5-11(13(8-10)18(22)23)17-14(19)9-12(15(20)21)16-6-3-7-24-2/h4-5,8,12,16H,3,6-7,9H2,1-2H3,(H,17,19)(H,20,21)