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

Systemtic Name: ethyl 4-[[5-nitro-6-[2-(2-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-nitro-6-[2-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[[(2-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-[N'-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H17N7O7 MolecularWeight: 467.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N7O7/c1-2-34-20(29)12-7-9-13(10-8-12)23-17-16(27(32)33)18(22-11-21-17)24-25-19(28)14-5-3-4-6-15(14)26(30)31/h3-11H,2H2,1H3,(H,25,28)(H2,21,22,23,24)