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

Systemtic Name: ethyl 4-[[6-[2-(4-methoxyphenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[2-(4-methoxybenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[(4-methoxyphenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-(4-methoxybenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(N'-p-anisoylhydrazino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H20N6O6 MolecularWeight: 452.4201

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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=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O6/c1-3-33-21(29)14-4-8-15(9-5-14)24-18-17(27(30)31)19(23-12-22-18)25-26-20(28)13-6-10-16(32-2)11-7-13/h4-12H,3H2,1-2H3,(H,26,28)(H2,22,23,24,25)