1,3-benzothiazol-2-ylmethyl 4-nitrobenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-nitrobenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H10N2O4S MolecularWeight: 314.3159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O4S/c18-15(10-5-7-11(8-6-10)17(19)20)21-9-14-16-12-3-1-2-4-13(12)22-14/h1-8H,9H2