dimethyl 5-[[5-nitro-6-[2-(3-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-nitro-6-[2-(3-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-nitro-6-[2-(3-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[5-nitro-6-[[(3-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-nitro-6-[2-(3-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-nitro-6-[N'-(3-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H17N7O9 MolecularWeight: 511.40118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N7O9/c1-36-20(30)12-6-13(21(31)37-2)8-14(7-12)24-17-16(28(34)35)18(23-10-22-17)25-26-19(29)11-4-3-5-15(9-11)27(32)33/h3-10H,1-2H3,(H,26,29)(H2,22,23,24,25)