4-(2-chloranylethanoylamino)-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: 4-(2-chloranylethanoylamino)-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: 4-[(2-chloroacetyl)amino]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: 4-[(2-chloro-1-oxoethyl)amino]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: 4-[(2-chloroacetyl)amino]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: 4-[(2-chloroacetyl)amino]-3,4,5a,6-tetrahydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C12H15ClN2O4 MolecularWeight: 286.7115

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(C2OC1NC(=O)CCl)C(=O)N

Isomeric SMILES

C1COC2=CC=CC(C2OC1NC(=O)CCl)C(=O)N

InChI

InChI=1S/C12H15ClN2O4/c13-6-9(16)15-10-4-5-18-8-3-1-2-7(12(14)17)11(8)19-10/h1-3,7,10-11H,4-6H2,(H2,14,17)(H,15,16)