6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-one hydrate

Systemtic Name: 6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-one hydrate Openeye Name: 3-allyl-6-nitro-1,3-benzothiazol-2-one hydrate CAS Name: 6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-one hydrate IUPAC Name: 6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-one hydrate Traditional Name: 3-allyl-6-nitro-1,3-benzothiazol-2-one hydrate Formula: C10H10N2O4S MolecularWeight: 254.2624

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=O.O

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=O.O

InChI

InChI=1S/C10H8N2O3S.H2O/c1-2-5-11-8-4-3-7(12(14)15)6-9(8)16-10(11)13;/h2-4,6H,1,5H2;1H2