7-nitro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2-one

Systemtic Name: 7-nitro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2-one Openeye Name: 7-nitro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2-one CAS Name: 7-nitro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2-one IUPAC Name: 7-nitro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2-one Traditional Name: 7-nitro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2-one Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(S1)C3=CC=CC=C3

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(S1)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O3S/c18-14-9-21-15(10-4-2-1-3-5-10)12-8-11(17(19)20)6-7-13(12)16-14/h1-8,15H,9H2,(H,16,18)