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

Systemtic Name: methyl 3-[[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H12ClN5O5 MolecularWeight: 401.76068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN5O5/c1-28-17(25)11-4-10(5-13(6-11)23(26)27)16(24)21-14-7-12(18)2-3-15(14)22-9-19-8-20-22/h2-9H,1H3,(H,21,24)