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

Systemtic Name: dimethyl 5-[[6-[2-(4-bromophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[6-[2-(4-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[6-[[(4-bromophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[6-[2-(4-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[6-[N'-(4-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H17BrN6O7 MolecularWeight: 545.29968

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN6O7/c1-34-20(30)12-7-13(21(31)35-2)9-15(8-12)25-17-16(28(32)33)18(24-10-23-17)26-27-19(29)11-3-5-14(22)6-4-11/h3-10H,1-2H3,(H,27,29)(H2,23,24,25,26)