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

Systemtic Name: ethyl 4-[(6-diazanyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(6-hydrazino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-hydrazinyl-5-nitro-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-hydrazino-5-nitro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C13H14N6O4 MolecularWeight: 318.28806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O4/c1-2-23-13(20)8-3-5-9(6-4-8)17-11-10(19(21)22)12(18-14)16-7-15-11/h3-7H,2,14H2,1H3,(H2,15,16,17,18)