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

Systemtic Name: ethyl 3-[[6-[(4-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(4-bromoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-bromoanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H16BrN5O4 MolecularWeight: 458.26544

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-])NC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H16BrN5O4/c1-2-29-19(26)12-4-3-5-15(10-12)24-18-16(25(27)28)17(21-11-22-18)23-14-8-6-13(20)7-9-14/h3-11H,2H2,1H3,(H2,21,22,23,24)