5-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-1,3-benzodioxole-4-carboxylic acid

Systemtic Name: 5-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-1,3-benzodioxole-4-carboxylic acid Openeye Name: 5-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-1,3-benzodioxole-4-carboxylic acid CAS Name: 5-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-1,3-benzodioxole-4-carboxylic acid IUPAC Name: 5-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-1,3-benzodioxole-4-carboxylic acid Traditional Name: 5-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-1,3-benzodioxole-4-carboxylic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C(=O)N)NC(=O)C1=C(C2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CC(C)C(C)(C(=O)N)NC(=O)C1=C(C2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C15H18N2O6/c1-7(2)15(3,14(16)21)17-12(18)8-4-5-9-11(23-6-22-9)10(8)13(19)20/h4-5,7H,6H2,1-3H3,(H2,16,21)(H,17,18)(H,19,20)