methyl 2-[[6-[2-(2-bromophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[[6-[2-(2-bromophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[2-(2-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[[(2-bromophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[2-(2-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-[N'-(2-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H15BrN6O5 MolecularWeight: 487.2636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN6O5/c1-31-19(28)12-7-3-5-9-14(12)23-16-15(26(29)30)17(22-10-21-16)24-25-18(27)11-6-2-4-8-13(11)20/h2-10H,1H3,(H,25,27)(H2,21,22,23,24)