ethyl 3-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 3-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(6-amino-5-nitro-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(6-amino-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(6-amino-5-nitro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C13H13N5O4 MolecularWeight: 303.27342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C13H13N5O4/c1-2-22-13(19)8-4-3-5-9(6-8)17-12-10(18(20)21)11(14)15-7-16-12/h3-7H,2H2,1H3,(H3,14,15,16,17)