2-(3-nitrophenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(3-nitrophenyl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-hydroxy-2-(3-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-hydroxy-2-(3-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-hydroxy-2-(3-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-hydroxy-2-(3-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H12N2O4S/c18-13-14(9-4-3-5-10(8-9)17(20)21)22-12-7-2-1-6-11(12)16-15(13)19/h1-8,13-14,18H,(H,16,19)