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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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