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

Systemtic Name: methyl 4-[[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-nitro-6-[2-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-[(4-nitrophenyl)hydrazo]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-[N'-(4-nitrophenyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C18H15N7O6 MolecularWeight: 425.355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N7O6/c1-31-18(26)11-2-4-12(5-3-11)21-16-15(25(29)30)17(20-10-19-16)23-22-13-6-8-14(9-7-13)24(27)28/h2-10,22H,1H3,(H2,19,20,21,23)