ethyl 4-[[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[2-(2-methylphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[2-(2-methylbenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[(2-methylphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-(2-methylbenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(N'-o-toluoylhydrazino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O5/c1-3-32-21(29)14-8-10-15(11-9-14)24-18-17(27(30)31)19(23-12-22-18)25-26-20(28)16-7-5-4-6-13(16)2/h4-12H,3H2,1-2H3,(H,26,28)(H2,22,23,24,25)