(2S)-4-[(4-ethoxy-2-nitro-phenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-[(4-ethoxy-2-nitro-phenyl)amino]-2-(3-morpholin-4-ylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(4-ethoxy-2-nitro-anilino)-2-(3-morpholinopropylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-(4-ethoxy-2-nitroanilino)-2-[3-(4-morpholinyl)propylamino]-4-oxobutanoic acid IUPAC Name: (2S)-4-(4-ethoxy-2-nitroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-(4-ethoxy-2-nitro-anilino)-4-keto-2-(3-morpholinopropylamino)butyric acid Formula: C19H28N4O7 MolecularWeight: 424.44822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCCCN2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C[C@@H](C(=O)O)NCCCN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O7/c1-2-30-14-4-5-15(17(12-14)23(27)28)21-18(24)13-16(19(25)26)20-6-3-7-22-8-10-29-11-9-22/h4-5,12,16,20H,2-3,6-11,13H2,1H3,(H,21,24)(H,25,26)/t16-/m0/s1