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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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