1,3-benzothiazol-2-ylmethyl 4-methyl-3-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-methyl-3-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S/c1-10-6-7-11(8-13(10)18(20)21)16(19)22-9-15-17-12-4-2-3-5-14(12)23-15/h2-8H,9H2,1H3