(9Z)-7-[(3-chlorophenyl)carbonylamino]-6-oxidanylidene-1,3,4,7,8,11-hexahydro-[1,3,4]oxadiazino[3,4-a][1,2]diazocine-4-carboxylic acid

Systemtic Name: (9Z)-7-[(3-chlorophenyl)carbonylamino]-6-oxidanylidene-1,3,4,7,8,11-hexahydro-[1,3,4]oxadiazino[3,4-a][1,2]diazocine-4-carboxylic acid Openeye Name: (9Z)-7-[(3-chlorobenzoyl)amino]-6-oxo-1,3,4,7,8,11-hexahydro-[1,3,4]oxadiazino[3,4-a]diazocine-4-carboxylic acid CAS Name: (9Z)-7-[[(3-chlorophenyl)-oxomethyl]amino]-6-oxo-1,3,4,7,8,11-hexahydro-[1,3,4]oxadiazino[3,4-a]diazocine-4-carboxylic acid IUPAC Name: (9Z)-7-[(3-chlorobenzoyl)amino]-6-oxo-1,3,4,7,8,11-hexahydro-[1,3,4]oxadiazino[3,4-a]diazocine-4-carboxylic acid Traditional Name: (9Z)-7-[(3-chlorobenzoyl)amino]-6-keto-1,3,4,7,8,11-hexahydro-[1,3,4]oxadiazino[3,4-a]diazocine-4-carboxylic acid Formula: C17H18ClN3O5 MolecularWeight: 379.79492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN2COCC(N2C(=O)C1NC(=O)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

C1/C=C\CN2COCC(N2C(=O)C1NC(=O)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C17H18ClN3O5/c18-12-5-3-4-11(8-12)15(22)19-13-6-1-2-7-20-10-26-9-14(17(24)25)21(20)16(13)23/h1-5,8,13-14H,6-7,9-10H2,(H,19,22)(H,24,25)/b2-1-