4-(4-azanyl-1-ethyl-2-oxidanylidene-pyrimidin-1-ium-1-yl)carbonylbenzoic acid

Systemtic Name: 4-(4-azanyl-1-ethyl-2-oxidanylidene-pyrimidin-1-ium-1-yl)carbonylbenzoic acid Openeye Name: 4-(4-amino-1-ethyl-2-oxo-pyrimidin-1-ium-1-carbonyl)benzoic acid CAS Name: 4-[(4-amino-1-ethyl-2-oxo-1-pyrimidin-1-iumyl)-oxomethyl]benzoic acid IUPAC Name: 4-(4-amino-1-ethyl-2-oxopyrimidin-1-ium-1-carbonyl)benzoic acid Traditional Name: 4-(4-amino-1-ethyl-2-keto-pyrimidin-1-ium-1-carbonyl)benzoic acid Formula: C14H14N3O4+ MolecularWeight: 288.27866

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=CC(=NC1=O)N)C(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC[N+]1(C=CC(=NC1=O)N)C(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H13N3O4/c1-2-17(8-7-11(15)16-14(17)21)12(18)9-3-5-10(6-4-9)13(19)20/h3-8H,2H2,1H3,(H2-,15,16,19,20,21)/p+1