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

Systemtic Name: ethyl 4-[[6-[2-(2-bromophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-[2-(2-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[(2-bromophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-[2-(2-bromobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[N'-(2-bromobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H17BrN6O5 MolecularWeight: 501.29018

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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=CC=C3Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3Br)[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN6O5/c1-2-32-20(29)12-7-9-13(10-8-12)24-17-16(27(30)31)18(23-11-22-17)25-26-19(28)14-5-3-4-6-15(14)21/h3-11H,2H2,1H3,(H,26,28)(H2,22,23,24,25)