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

Systemtic Name: methyl 3-nitro-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(4-phenylthiazol-2-yl)carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(4-phenyl-2-thiazolyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate Traditional Name: 3-nitro-5-[(4-phenylthiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5S/c1-26-17(23)13-7-12(8-14(9-13)21(24)25)16(22)20-18-19-15(10-27-18)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20,22)