methyl 1-(4-ethanoylphenyl)-4,6-dinitro-indazole-3-carboxylate

Systemtic Name: methyl 1-(4-ethanoylphenyl)-4,6-dinitro-indazole-3-carboxylate Openeye Name: methyl 1-(4-acetylphenyl)-4,6-dinitro-indazole-3-carboxylate CAS Name: 1-(4-acetylphenyl)-4,6-dinitro-3-indazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-acetylphenyl)-4,6-dinitroindazole-3-carboxylate Traditional Name: 1-(4-acetylphenyl)-4,6-dinitro-indazole-3-carboxylic acid methyl ester Formula: C17H12N4O7 MolecularWeight: 384.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C3=CC(=CC(=C3C(=N2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C3=CC(=CC(=C3C(=N2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O7/c1-9(22)10-3-5-11(6-4-10)19-13-7-12(20(24)25)8-14(21(26)27)15(13)16(18-19)17(23)28-2/h3-8H,1-2H3