methyl 3-nitro-5-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[[4-(2,4,6-trimethylphenyl)thiazol-2-yl]carbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[4-(2,4,6-trimethylphenyl)-2-thiazolyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate Traditional Name: 3-[(4-mesitylthiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C21H19N3O5S/c1-11-5-12(2)18(13(3)6-11)17-10-30-21(22-17)23-19(25)14-7-15(20(26)29-4)9-16(8-14)24(27)28/h5-10H,1-4H3,(H,22,23,25)