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

Systemtic Name: 2-[(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)carbamoyl]-5-prop-2-enyl-pyridine-3-carboxylic acid Openeye Name: 5-allyl-2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]pyridine-3-carboxylic acid CAS Name: 2-[[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)amino]-oxomethyl]-5-prop-2-enyl-3-pyridinecarboxylic acid IUPAC Name: 2-[(1-amino-2,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-5-prop-2-enylpyridine-3-carboxylic acid Traditional Name: 5-allyl-2-[(1-carbamoyl-1,2-dimethyl-propyl)carbamoyl]nicotinic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-5-6-10-7-11(14(21)22)12(18-8-10)13(20)19-16(4,9(2)3)15(17)23/h5,7-9H,1,6H2,2-4H3,(H2,17,23)(H,19,20)(H,21,22)