methyl 4-[5-(4-chloranyl-3-nitro-phenyl)-1,2,4-triazol-1-yl]benzoate

Systemtic Name: methyl 4-[5-(4-chloranyl-3-nitro-phenyl)-1,2,4-triazol-1-yl]benzoate Openeye Name: methyl 4-[5-(4-chloro-3-nitro-phenyl)-1,2,4-triazol-1-yl]benzoate CAS Name: 4-[5-(4-chloro-3-nitrophenyl)-1,2,4-triazol-1-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(4-chloro-3-nitrophenyl)-1,2,4-triazol-1-yl]benzoate Traditional Name: 4-[5-(4-chloro-3-nitro-phenyl)-1,2,4-triazol-1-yl]benzoic acid methyl ester Formula: C16H11ClN4O4 MolecularWeight: 358.73594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=NC=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=NC=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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