methyl 4-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(5-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5S/c1-24-15(21)10-4-2-9(3-5-10)14(20)18-16-17-12-8-11(19(22)23)6-7-13(12)25-16/h2-8H,1H3,(H,17,18,20)