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

Systemtic Name: methyl 4-[[6-[2-(4-chlorophenyl)carbonylhydrazinyl]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[2-(4-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[(4-chlorophenyl)-oxomethyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(4-chlorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[N'-(4-chlorobenzoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H15ClN6O5 MolecularWeight: 442.8126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN6O5/c1-31-19(28)12-4-8-14(9-5-12)23-16-15(26(29)30)17(22-10-21-16)24-25-18(27)11-2-6-13(20)7-3-11/h2-10H,1H3,(H,25,27)(H2,21,22,23,24)