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

Systemtic Name: ethyl 4-[[4-[(3-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(3-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[4-(3-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-(m-anisidino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O5/c1-4-31-20(27)14-8-10-15(11-9-14)24-21-22-13(2)18(26(28)29)19(25-21)23-16-6-5-7-17(12-16)30-3/h5-12H,4H2,1-3H3,(H2,22,23,24,25)