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

Systemtic Name: ethyl 3-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H17N5O5 MolecularWeight: 395.36878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5/c1-3-29-19(26)14-7-13(9-16(10-14)24(27)28)18(25)21-15-6-4-5-12(8-15)17-22-20-11-23(17)2/h4-11H,3H2,1-2H3,(H,21,25)