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

Systemtic Name: 4-[[4-[(4-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: 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]benzoate IUPAC Name: 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]benzoate Formula: C19H16N5O5- MolecularWeight: 394.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)[O-])NC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)[O-])NC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5/c1-11-16(24(27)28)17(21-13-7-9-15(29-2)10-8-13)23-19(20-11)22-14-5-3-12(4-6-14)18(25)26/h3-10H,1-2H3,(H,25,26)(H2,20,21,22,23)/p-1