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

Systemtic Name: methyl 2-[[6-[(diphenylmethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[(diphenylmethyl)amino]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(benzhydrylamino)-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-(benzhydrylamino)-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N5O4/c1-30(21-16-10-9-15-20(21)26(32)35-2)25-23(31(33)34)24(27-17-28-25)29-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H,27,28,29)