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

Systemtic Name: methyl 2-[(6-diazanyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: methyl 2-[(6-hydrazino-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 2-[(6-hydrazinyl-5-nitro-4-pyrimidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 2-[(6-hydrazino-5-nitro-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C12H12N6O4 MolecularWeight: 304.26148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NN)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O4/c1-22-12(19)7-4-2-3-5-8(7)16-10-9(18(20)21)11(17-13)15-6-14-10/h2-6H,13H2,1H3,(H2,14,15,16,17)