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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

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