1,3-benzothiazol-2-ylmethyl 2-(2,4-dinitrophenyl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2,4-dinitrophenyl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2,4-dinitrophenyl)acetate CAS Name: 2-(2,4-dinitrophenyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2,4-dinitrophenyl)acetate Traditional Name: 2-(2,4-dinitrophenyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H11N3O6S MolecularWeight: 373.34004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O6S/c20-16(25-9-15-17-12-3-1-2-4-14(12)26-15)7-10-5-6-11(18(21)22)8-13(10)19(23)24/h1-6,8H,7,9H2