[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranylbenzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranylbenzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C16H10ClN3O5S MolecularWeight: 391.7857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClN3O5S/c17-10-3-1-9(2-4-10)15(22)25-8-14(21)19-16-18-12-6-5-11(20(23)24)7-13(12)26-16/h1-7H,8H2,(H,18,19,21)