ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[(5-methyl-3-isoxazolyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[(5-methylisoxazol-3-yl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C17H16N6O5 MolecularWeight: 384.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NOC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O5/c1-3-27-17(24)11-4-6-12(7-5-11)20-15-14(23(25)26)16(19-9-18-15)21-13-8-10(2)28-22-13/h4-9H,3H2,1-2H3,(H2,18,19,20,21,22)