[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic 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-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C17H13ClN4O6S MolecularWeight: 436.82632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C17H13ClN4O6S/c1-27-13-6-11(19)10(18)5-9(13)16(24)28-7-15(23)21-17-20-12-3-2-8(22(25)26)4-14(12)29-17/h2-6H,7,19H2,1H3,(H,20,21,23)