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

Systemtic Name: N-[5-azanyl-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-2H-pyrrol-1-yl]-3-nitro-benzamide Openeye Name: N-[5-amino-4-[4-(4-chlorophenyl)thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]-3-nitro-benzamide CAS Name: N-[5-amino-4-[4-(4-chlorophenyl)-2-thiazolyl]-3-oxo-2H-pyrrol-1-yl]-3-nitrobenzamide IUPAC Name: N-[5-amino-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-oxo-2H-pyrrol-1-yl]-3-nitrobenzamide Traditional Name: N-[2-amino-3-[4-(4-chlorophenyl)thiazol-2-yl]-4-keto-2-pyrrolin-1-yl]-3-nitro-benzamide Formula: C20H14ClN5O4S MolecularWeight: 455.87426

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN5O4S/c21-13-6-4-11(5-7-13)15-10-31-20(23-15)17-16(27)9-25(18(17)22)24-19(28)12-2-1-3-14(8-12)26(29)30/h1-8,10H,9,22H2,(H,24,28)