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

Systemtic Name: ethyl 4-[[6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(3-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(3-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4/c1-3-29-20(26)14-7-9-15(10-8-14)23-18-17(25(27)28)19(22-12-21-18)24-16-6-4-5-13(2)11-16/h4-12H,3H2,1-2H3,(H2,21,22,23,24)