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

Systemtic Name: methyl 3-nitro-5-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]benzoate Traditional Name: 3-nitro-5-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5/c1-28-18(25)14-6-13(7-16(8-14)23(26)27)17(24)21-15-4-2-12(3-5-15)9-22-11-19-10-20-22/h2-8,10-11H,9H2,1H3,(H,21,24)