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

Systemtic Name: methyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-methylthiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-methyl-2-thiazolyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-methylthiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H11N3O5S/c1-7-6-22-13(14-7)15-11(17)8-3-9(12(18)21-2)5-10(4-8)16(19)20/h3-6H,1-2H3,(H,14,15,17)