(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl pyridine-3-carboxylate

Systemtic Name: (1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl pyridine-3-carboxylate Openeye Name: (1-carbamoyl-1,2-dimethyl-propyl)carbamoyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl] ester IUPAC Name: (1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl pyridine-3-carboxylate Traditional Name: nicotinic acid (1-carbamoyl-1,2-dimethyl-propyl)carbamoyl ester Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C(=O)N)NC(=O)OC(=O)C1=CN=CC=C1

Isomeric SMILES

CC(C)C(C)(C(=O)N)NC(=O)OC(=O)C1=CN=CC=C1

InChI

InChI=1S/C13H17N3O4/c1-8(2)13(3,11(14)18)16-12(19)20-10(17)9-5-4-6-15-7-9/h4-8H,1-3H3,(H2,14,18)(H,16,19)