3-(2-chloroethyl)-2H-1,2,3,5-benzotetrazepin-4-one

Systemtic Name: 3-(2-chloroethyl)-2H-1,2,3,5-benzotetrazepin-4-one Openeye Name: 3-(2-chloroethyl)-2H-1,2,3,5-benzotetrazepin-4-one CAS Name: 3-(2-chloroethyl)-2H-1,2,3,5-benzotetrazepin-4-one IUPAC Name: 3-(2-chloroethyl)-2H-1,2,3,5-benzotetrazepin-4-one Traditional Name: 3-(2-chloroethyl)-2H-1,2,3,5-benzotetrazepin-4-one Formula: C9H9ClN4O MolecularWeight: 224.64696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=O)N(NN=C2C=C1)CCCl

Isomeric SMILES

C1=CC2=NC(=O)N(NN=C2C=C1)CCCl

InChI

InChI=1S/C9H9ClN4O/c10-5-6-14-9(15)11-7-3-1-2-4-8(7)12-13-14/h1-4,13H,5-6H2