(3-azanyl-1,2,4-triazol-1-yl)-(2-chloranyl-4-nitro-phenyl)methanone

Systemtic Name: (3-azanyl-1,2,4-triazol-1-yl)-(2-chloranyl-4-nitro-phenyl)methanone Openeye Name: (3-amino-1,2,4-triazol-1-yl)-(2-chloro-4-nitro-phenyl)methanone CAS Name: (3-amino-1,2,4-triazol-1-yl)-(2-chloro-4-nitrophenyl)methanone IUPAC Name: (3-amino-1,2,4-triazol-1-yl)-(2-chloro-4-nitrophenyl)methanone Traditional Name: (3-amino-1,2,4-triazol-1-yl)-(2-chloro-4-nitro-phenyl)methanone Formula: C9H6ClN5O3 MolecularWeight: 267.62864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N2C=NC(=N2)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N2C=NC(=N2)N

InChI

InChI=1S/C9H6ClN5O3/c10-7-3-5(15(17)18)1-2-6(7)8(16)14-4-12-9(11)13-14/h1-4H,(H2,11,13)