1-[5-azanyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[5-azanyl-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[5-amino-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[5-amino-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[5-amino-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[5-amino-3-(4-nitrophenyl)-1,2,4-triazol-1-yl]-3,3-dimethyl-butan-2-one Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H17N5O3/c1-14(2,3)11(20)8-18-13(15)16-12(17-18)9-4-6-10(7-5-9)19(21)22/h4-7H,8H2,1-3H3,(H2,15,16,17)