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

Systemtic Name: methyl 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(2-methylthiazol-4-yl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(2-methyl-4-thiazolyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(2-methylthiazol-4-yl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H15N3O5S/c1-11-20-17(10-28-11)12-3-5-15(6-4-12)21-18(23)13-7-14(19(24)27-2)9-16(8-13)22(25)26/h3-10H,1-2H3,(H,21,23)