methyl 4-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

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