(2R)-2-(3-azanylpropylamino)-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-2-(3-azanylpropylamino)-4-[(2-methoxy-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(3-aminopropylamino)-4-(2-methoxy-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(3-aminopropylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(3-aminopropylamino)-4-(2-methoxy-5-nitroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(3-aminopropylamino)-4-keto-4-(2-methoxy-5-nitro-anilino)butyric acid Formula: C14H20N4O6 MolecularWeight: 340.3318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC(C(=O)O)NCCCN

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[C@H](C(=O)O)NCCCN

InChI

InChI=1S/C14H20N4O6/c1-24-12-4-3-9(18(22)23)7-10(12)17-13(19)8-11(14(20)21)16-6-2-5-15/h3-4,7,11,16H,2,5-6,8,15H2,1H3,(H,17,19)(H,20,21)/t11-/m1/s1