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

Systemtic Name: ethyl 3-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H19N5O5/c1-3-24-12-21-23-18(24)13-6-5-7-16(9-13)22-19(26)14-8-15(20(27)30-4-2)11-17(10-14)25(28)29/h5-12H,3-4H2,1-2H3,(H,22,26)