(2-methyl-1,3-benzothiazol-5-yl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (2-methyl-1,3-benzothiazol-5-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (2-methyl-1,3-benzothiazol-5-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (2-methyl-1,3-benzothiazol-5-yl)methyl ester IUPAC Name: (2-methyl-1,3-benzothiazol-5-yl)methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (2-methyl-1,3-benzothiazol-5-yl)methyl ester Formula: C16H11ClN2O4S MolecularWeight: 362.78754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O4S/c1-9-18-14-6-10(2-5-15(14)24-9)8-23-16(20)12-7-11(19(21)22)3-4-13(12)17/h2-7H,8H2,1H3