3-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propan-1-amine

Systemtic Name: 3-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propan-1-amine Openeye Name: 3-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propan-1-amine CAS Name: 3-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-propanamine IUPAC Name: 3-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propan-1-amine Traditional Name: 3-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propylamine Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)CCCN

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)CCCN

InChI

InChI=1S/C11H13N3O3S/c1-17-8-5-7(14(15)16)6-9-11(8)13-10(18-9)3-2-4-12/h5-6H,2-4,12H2,1H3