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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(2-methoxyethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(2-methoxyethylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-4-keto-2-(2-methoxyethylamino)butyric acid Formula: C13H16ClN3O6 MolecularWeight: 345.73564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O6/c1-23-5-4-15-11(13(19)20)7-12(18)16-10-6-8(17(21)22)2-3-9(10)14/h2-3,6,11,15H,4-5,7H2,1H3,(H,16,18)(H,19,20)