benzotriazol-1-yl-(2-chloranyl-5-nitro-phenyl)methanone

Systemtic Name: benzotriazol-1-yl-(2-chloranyl-5-nitro-phenyl)methanone Openeye Name: benzotriazol-1-yl-(2-chloro-5-nitro-phenyl)methanone CAS Name: 1-benzotriazolyl-(2-chloro-5-nitrophenyl)methanone IUPAC Name: benzotriazol-1-yl-(2-chloro-5-nitrophenyl)methanone Traditional Name: benzotriazol-1-yl-(2-chloro-5-nitro-phenyl)methanone Formula: C13H7ClN4O3 MolecularWeight: 302.67268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H7ClN4O3/c14-10-6-5-8(18(20)21)7-9(10)13(19)17-12-4-2-1-3-11(12)15-16-17/h1-7H