methyl 2-[[6-[2-(2,2-diphenylethanoyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[2-(2,2-diphenylethanoyl)hydrazinyl]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[2-(2,2-diphenylacetyl)hydrazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-[(1-oxo-2,2-diphenylethyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[2-(2,2-diphenylacetyl)hydrazinyl]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[N'-(2,2-diphenylacetyl)hydrazino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C27H24N6O5 MolecularWeight: 512.51666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N6O5/c1-32(21-16-10-9-15-20(21)27(35)38-2)25-23(33(36)37)24(28-17-29-25)30-31-26(34)22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H,31,34)(H,28,29,30)