dimethyl 5-[[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[(diphenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-(benzhydrylamino)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H23N5O6 MolecularWeight: 513.50142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC2=C(C(=NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H23N5O6/c1-37-26(33)19-13-20(27(34)38-2)15-21(14-19)30-24-23(32(35)36)25(29-16-28-24)31-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22H,1-2H3,(H2,28,29,30,31)