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

Systemtic Name: methyl 4-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-(2-phenylhydrazino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(phenylhydrazo)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(N'-phenylhydrazino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NNC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4/c1-28-18(25)12-7-9-13(10-8-12)21-16-15(24(26)27)17(20-11-19-16)23-22-14-5-3-2-4-6-14/h2-11,22H,1H3,(H2,19,20,21,23)