3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide

Systemtic Name: 3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide Openeye Name: 3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide CAS Name: 3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide IUPAC Name: 3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide Traditional Name: 3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCN2C=NC=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCN2C=NC=N2

InChI

InChI=1S/C12H13N5O3/c18-12(10-3-1-4-11(7-10)17(19)20)14-5-2-6-16-9-13-8-15-16/h1,3-4,7-9H,2,5-6H2,(H,14,18)