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

Systemtic Name: 4-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-5-(2-chloroethyl)pyridine-3-carboxylic acid Openeye Name: 4-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-5-(2-chloroethyl)pyridine-3-carboxylic acid CAS Name: 4-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-5-(2-chloroethyl)-3-pyridinecarboxylic acid IUPAC Name: 4-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-5-(2-chloroethyl)pyridine-3-carboxylic acid Traditional Name: 4-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]-5-(2-chloroethyl)nicotinic acid Formula: C15H20ClN3O4 MolecularWeight: 341.79

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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)CCCl

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O4/c1-8(2)15(3,14(17)23)19-12(20)11-9(4-5-16)6-18-7-10(11)13(21)22/h6-8H,4-5H2,1-3H3,(H2,17,23)(H,19,20)(H,21,22)