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

Systemtic Name: (2R)-2-(3-azanylpropylamino)-4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2R)-2-(3-aminopropylamino)-4-(2-chloro-5-nitro-anilino)-4-oxo-butanoic acid CAS Name: (2R)-2-(3-aminopropylamino)-4-(2-chloro-5-nitroanilino)-4-oxobutanoic acid IUPAC Name: (2R)-2-(3-aminopropylamino)-4-(2-chloro-5-nitroanilino)-4-oxobutanoic acid Traditional Name: (2R)-2-(3-aminopropylamino)-4-(2-chloro-5-nitro-anilino)-4-keto-butyric acid Formula: C13H17ClN4O5 MolecularWeight: 344.75088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN4O5/c14-9-3-2-8(18(22)23)6-10(9)17-12(19)7-11(13(20)21)16-5-1-4-15/h2-3,6,11,16H,1,4-5,7,15H2,(H,17,19)(H,20,21)/t11-/m1/s1