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

Systemtic Name: methyl 4-[[5-nitro-6-[2-(2-phenylethanoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-[2-(2-phenylacetyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[(1-oxo-2-phenylethyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-[N'-(2-phenylacetyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H18N6O5 MolecularWeight: 422.39412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O5/c1-31-20(28)14-7-9-15(10-8-14)23-18-17(26(29)30)19(22-12-21-18)25-24-16(27)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,24,27)(H2,21,22,23,25)