4-cyclopentyl-9-nitro-3H-1,4-benzothiazepine-2,5-dione

Systemtic Name: 4-cyclopentyl-9-nitro-3H-1,4-benzothiazepine-2,5-dione Openeye Name: 4-cyclopentyl-9-nitro-3H-1,4-benzothiazepine-2,5-dione CAS Name: 4-cyclopentyl-9-nitro-3H-1,4-benzothiazepine-2,5-dione IUPAC Name: 4-cyclopentyl-9-nitro-3H-1,4-benzothiazepine-2,5-dione Traditional Name: 4-cyclopentyl-9-nitro-3H-1,4-benzothiazepine-2,5-quinone Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC(=O)SC3=C(C2=O)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N2CC(=O)SC3=C(C2=O)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c17-12-8-15(9-4-1-2-5-9)14(18)10-6-3-7-11(16(19)20)13(10)21-12/h3,6-7,9H,1-2,4-5,8H2