chromen-2-one; 5-nitro-1,3-benzothiazole

Systemtic Name: chromen-2-one; 5-nitro-1,3-benzothiazole Openeye Name: chromen-2-one; 5-nitro-1,3-benzothiazole CAS Name: 1-benzopyran-2-one; 5-nitro-1,3-benzothiazole IUPAC Name: chromen-2-one; 5-nitro-1,3-benzothiazole Traditional Name: coumarin; 5-nitro-1,3-benzothiazole Formula: C16H10N2O4S MolecularWeight: 326.3266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)O2.C1=CC2=C(C=C1[N+](=O)[O-])N=CS2

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=O)O2.C1=CC2=C(C=C1[N+](=O)[O-])N=CS2

InChI

InChI=1S/C9H6O2.C7H4N2O2S/c10-9-6-5-7-3-1-2-4-8(7)11-9;10-9(11)5-1-2-7-6(3-5)8-4-12-7/h1-6H;1-4H