(2-methyl-1,3-benzothiazol-5-yl)methyl 2-nitrobenzoate

Systemtic Name: (2-methyl-1,3-benzothiazol-5-yl)methyl 2-nitrobenzoate Openeye Name: (2-methyl-1,3-benzothiazol-5-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (2-methyl-1,3-benzothiazol-5-yl)methyl ester IUPAC Name: (2-methyl-1,3-benzothiazol-5-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (2-methyl-1,3-benzothiazol-5-yl)methyl ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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