butyl 4-[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]amino]benzoate CAS Name: 4-[[[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]amino]benzoate Traditional Name: 4-[[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]amino]benzoic acid butyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O5/c1-2-3-10-30-20(27)14-4-7-16(8-5-14)23-19(26)15-6-9-17(18(11-15)25(28)29)24-13-21-12-22-24/h4-9,11-13H,2-3,10H2,1H3,(H,23,26)