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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

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