methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-nitro-phenyl]carbamate

Systemtic Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-nitro-phenyl]carbamate Openeye Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-nitro-phenyl]carbamate CAS Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-nitrophenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-nitrophenyl]carbamate Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethoxy)-3-nitro-phenyl]carbamic acid methyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC1=CC(=C(C=C1)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c1-23-16(20)17-10-6-7-13(12(8-10)19(21)22)24-9-15-18-11-4-2-3-5-14(11)25-15/h2-8H,9H2,1H3,(H,17,20)