methyl 4-[[6-(2-naphthalen-1-ylcarbonylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[6-(2-naphthalen-1-ylcarbonylhydrazinyl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[6-[2-(naphthalene-1-carbonyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-[[1-naphthalenyl(oxo)methyl]hydrazo]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-[N'-(1-naphthoyl)hydrazino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C23H18N6O5 MolecularWeight: 458.42622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O5/c1-34-23(31)15-9-11-16(12-10-15)26-20-19(29(32)33)21(25-13-24-20)27-28-22(30)18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H,28,30)(H2,24,25,26,27)