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

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-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] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C16H11ClN4O5S MolecularWeight: 406.80034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)COC(=O)C3=C(C=C(C=C3)Cl)N

InChI

InChI=1S/C16H11ClN4O5S/c17-8-1-3-10(11(18)5-8)15(23)26-7-14(22)20-16-19-12-4-2-9(21(24)25)6-13(12)27-16/h1-6H,7,18H2,(H,19,20,22)