methyl 2-(2-chloranylpyridin-3-yl)-8-nitro-3H-1,3-benzodiazepine-4-carboxylate

Systemtic Name: methyl 2-(2-chloranylpyridin-3-yl)-8-nitro-3H-1,3-benzodiazepine-4-carboxylate Openeye Name: methyl 2-(2-chloro-3-pyridyl)-8-nitro-3H-1,3-benzodiazepine-4-carboxylate CAS Name: 2-(2-chloro-3-pyridinyl)-8-nitro-3H-1,3-benzodiazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-chloropyridin-3-yl)-8-nitro-3H-1,3-benzodiazepine-4-carboxylate Traditional Name: 2-(2-chloro-3-pyridyl)-8-nitro-3H-1,3-benzodiazepine-4-carboxylic acid methyl ester Formula: C16H11ClN4O4 MolecularWeight: 358.73594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2)[N+](=O)[O-])N=C(N1)C3=C(N=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2)[N+](=O)[O-])N=C(N1)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C16H11ClN4O4/c1-25-16(22)13-7-9-4-5-10(21(23)24)8-12(9)19-15(20-13)11-3-2-6-18-14(11)17/h2-8H,1H3,(H,19,20)