4-[2-[(3-methyl-4-nitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[(3-methyl-4-nitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[(3-methyl-4-nitro-benzoyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[(3-methyl-4-nitrobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[(3-methyl-4-nitro-benzoyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C16H13N5O4S MolecularWeight: 371.37052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O4S/c1-8-4-9(2-3-13(8)21(24)25)15(23)20-16-19-12(7-26-16)10-5-11(14(17)22)18-6-10/h2-7,18H,1H3,(H2,17,22)(H,19,20,23)