1-(3-nitrophenyl)ethyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: 1-(3-nitrophenyl)ethyl 1,3-benzothiazole-6-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid 1-(3-nitrophenyl)ethyl ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)N=CS3

InChI

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