4-azanyl-2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(7-chloropiperonyloyl)amino]-4-keto-butyric acid Formula: C12H11ClN2O6 MolecularWeight: 314.67854

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)NC(CC(=O)N)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)NC(CC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C12H11ClN2O6/c13-6-1-5(2-8-10(6)21-4-20-8)11(17)15-7(12(18)19)3-9(14)16/h1-2,7H,3-4H2,(H2,14,16)(H,15,17)(H,18,19)