2-[[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)amino]carbamoyl]-6-(phenoxymethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)amino]carbamoyl]-6-(phenoxymethyl)pyridine-3-carboxylic acid Openeye Name: 2-[[(1-carbamoyl-1,2-dimethyl-propyl)amino]carbamoyl]-6-(phenoxymethyl)pyridine-3-carboxylic acid CAS Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)hydrazo]-oxomethyl]-6-(phenoxymethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]carbamoyl]-6-(phenoxymethyl)pyridine-3-carboxylic acid Traditional Name: 2-[[(1-carbamoyl-1,2-dimethyl-propyl)amino]carbamoyl]-6-(phenoxymethyl)nicotinic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C(=O)N)NNC(=O)C1=C(C=CC(=N1)COC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(C)(C(=O)N)NNC(=O)C1=C(C=CC(=N1)COC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H24N4O5/c1-12(2)20(3,19(21)28)24-23-17(25)16-15(18(26)27)10-9-13(22-16)11-29-14-7-5-4-6-8-14/h4-10,12,24H,11H2,1-3H3,(H2,21,28)(H,23,25)(H,26,27)