4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(propylamino)butanoic acid

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-2-(propylamino)butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-4-oxo-2-(propylamino)butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(propylamino)butanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-4-oxo-2-(propylamino)butanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-(propylamino)butyric acid Formula: C13H16ClN3O5 MolecularWeight: 329.73624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O5/c1-2-5-15-11(13(19)20)7-12(18)16-10-6-8(17(21)22)3-4-9(10)14/h3-4,6,11,15H,2,5,7H2,1H3,(H,16,18)(H,19,20)