N-[5-azanyl-4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]-2-nitro-benzamide

Systemtic Name: N-[5-azanyl-4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]-2-nitro-benzamide Openeye Name: N-[5-amino-4-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]-2-nitro-benzamide CAS Name: N-[5-amino-4-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]-2-nitrobenzamide IUPAC Name: N-[5-amino-4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]-2-nitrobenzamide Traditional Name: N-[2-amino-4-keto-3-[4-(3-nitrophenyl)thiazol-2-yl]-2-pyrrolin-1-yl]-2-nitro-benzamide Formula: C20H14N6O6S MolecularWeight: 466.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1NC(=O)C2=CC=CC=C2[N+](=O)[O-])N)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)C(=C(N1NC(=O)C2=CC=CC=C2[N+](=O)[O-])N)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O6S/c21-18-17(20-22-14(10-33-20)11-4-3-5-12(8-11)25(29)30)16(27)9-24(18)23-19(28)13-6-1-2-7-15(13)26(31)32/h1-8,10H,9,21H2,(H,23,28)