[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-[[4-(4-methylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-keto-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5S/c1-11-2-4-12(5-3-11)16-10-29-19(21-16)22-17(24)9-28-18(25)14-7-6-13(23(26)27)8-15(14)20/h2-8,10H,9,20H2,1H3,(H,21,22,24)