methyl 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-methyl-1,3-benzothiazol-6-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H13N3O5S/c1-9-18-14-4-3-12(8-15(14)26-9)19-16(21)10-5-11(17(22)25-2)7-13(6-10)20(23)24/h3-8H,1-2H3,(H,19,21)