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

Systemtic Name: 4-[(2-chloranyl-5-nitro-phenyl)amino]-2-(furan-2-ylmethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-chloro-5-nitro-anilino)-2-(2-furylmethylamino)-4-oxo-butanoic acid CAS Name: 4-(2-chloro-5-nitroanilino)-2-(2-furanylmethylamino)-4-oxobutanoic acid IUPAC Name: 4-(2-chloro-5-nitroanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid Traditional Name: 4-(2-chloro-5-nitro-anilino)-2-(2-furfurylamino)-4-keto-butyric acid Formula: C15H14ClN3O6 MolecularWeight: 367.74116

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1=COC(=C1)CNC(CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C15H14ClN3O6/c16-11-4-3-9(19(23)24)6-12(11)18-14(20)7-13(15(21)22)17-8-10-2-1-5-25-10/h1-6,13,17H,7-8H2,(H,18,20)(H,21,22)