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

Systemtic Name: 4-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-5-(chloromethyl)pyridine-3-carboxylic acid Openeye Name: 4-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-5-(chloromethyl)pyridine-3-carboxylic acid CAS Name: 4-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-5-(chloromethyl)-3-pyridinecarboxylic acid IUPAC Name: 4-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-5-(chloromethyl)pyridine-3-carboxylic acid Traditional Name: 4-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-5-(chloromethyl)nicotinic acid Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C(=O)N)NC(=O)C1=C(C=NC=C1C(=O)O)CCl

Isomeric SMILES

CC(C)C(C)(C(=O)N)NC(=O)C1=C(C=NC=C1C(=O)O)CCl

InChI

InChI=1S/C14H18ClN3O4/c1-7(2)14(3,13(16)22)18-11(19)10-8(4-15)5-17-6-9(10)12(20)21/h5-7H,4H2,1-3H3,(H2,16,22)(H,18,19)(H,20,21)