1-[3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCN2C=NC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCN2C=NC=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3/c1-9(18)10-2-3-11(12(6-10)17(19)20)14-4-5-16-8-13-7-15-16/h2-3,6-8,14H,4-5H2,1H3