2-(5-azanyl-6-oxidanylidene-pyrimidin-1-yl)-2-(4-nitrophenyl)ethanoic acid

Systemtic Name: 2-(5-azanyl-6-oxidanylidene-pyrimidin-1-yl)-2-(4-nitrophenyl)ethanoic acid Openeye Name: 2-(5-amino-6-oxo-pyrimidin-1-yl)-2-(4-nitrophenyl)acetic acid CAS Name: 2-(5-amino-6-oxo-1-pyrimidinyl)-2-(4-nitrophenyl)acetic acid IUPAC Name: 2-(5-amino-6-oxopyrimidin-1-yl)-2-(4-nitrophenyl)acetic acid Traditional Name: 2-(5-amino-6-keto-pyrimidin-1-yl)-2-(4-nitrophenyl)acetic acid Formula: C12H10N4O5 MolecularWeight: 290.2316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(=O)O)N2C=NC=C(C2=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(=O)O)N2C=NC=C(C2=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5/c13-9-5-14-6-15(11(9)17)10(12(18)19)7-1-3-8(4-2-7)16(20)21/h1-6,10H,13H2,(H,18,19)