[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-piperidin-1-yl-methanone

Systemtic Name: [3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-piperidin-1-yl-methanone Openeye Name: [3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-(1-piperidyl)methanone CAS Name: [3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-(1-piperidinyl)methanone IUPAC Name: [3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-piperidin-1-ylmethanone Traditional Name: [3-nitro-4-(1,2,4-triazol-1-yl)phenyl]-piperidino-methanone Formula: C14H15N5O3 MolecularWeight: 301.3006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3/c20-14(17-6-2-1-3-7-17)11-4-5-12(13(8-11)19(21)22)18-10-15-9-16-18/h4-5,8-10H,1-3,6-7H2