(5-azanyl-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone

Systemtic Name: (5-azanyl-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone Openeye Name: (5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone CAS Name: (5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone IUPAC Name: (5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone Traditional Name: (5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-(4-nitrophenyl)methanone Formula: C11H12N5O3+ MolecularWeight: 262.24468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1C)N)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=[N+]1C)N)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O3/c1-7-13-15(11(12)14(7)2)10(17)8-3-5-9(6-4-8)16(18)19/h3-6,12H,1-2H3/p+1