6-(4-nitrophenyl)carbonyl-3H-1,3-benzothiazol-2-one

Systemtic Name: 6-(4-nitrophenyl)carbonyl-3H-1,3-benzothiazol-2-one Openeye Name: 6-(4-nitrobenzoyl)-3H-1,3-benzothiazol-2-one CAS Name: 6-[(4-nitrophenyl)-oxomethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 6-(4-nitrobenzoyl)-3H-1,3-benzothiazol-2-one Traditional Name: 6-(4-nitrobenzoyl)-3H-1,3-benzothiazol-2-one Formula: C14H8N2O4S MolecularWeight: 300.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)NC(=O)S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)NC(=O)S3)[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O4S/c17-13(8-1-4-10(5-2-8)16(19)20)9-3-6-11-12(7-9)21-14(18)15-11/h1-7H,(H,15,18)