5-(1,3-benzothiazol-2-yl)pentyl 3,5-dinitrobenzoate

Systemtic Name: 5-(1,3-benzothiazol-2-yl)pentyl 3,5-dinitrobenzoate Openeye Name: 5-(1,3-benzothiazol-2-yl)pentyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 5-(1,3-benzothiazol-2-yl)pentyl ester IUPAC Name: 5-(1,3-benzothiazol-2-yl)pentyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 5-(1,3-benzothiazol-2-yl)pentyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6S/c23-19(13-10-14(21(24)25)12-15(11-13)22(26)27)28-9-5-1-2-8-18-20-16-6-3-4-7-17(16)29-18/h3-4,6-7,10-12H,1-2,5,8-9H2