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

Systemtic Name: 4-[2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[(4-methoxy-3-nitro-benzoyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[(4-methoxy-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[(4-methoxy-3-nitro-benzoyl)amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CNC(=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O5S/c1-26-13-3-2-8(5-12(13)21(24)25)15(23)20-16-19-11(7-27-16)9-4-10(14(17)22)18-6-9/h2-7,18H,1H3,(H2,17,22)(H,19,20,23)