N-(1-methyl-4-oxidanylidene-3-thiophen-2-yl-quinolin-2-yl)-3-nitro-benzamide

Systemtic Name: N-(1-methyl-4-oxidanylidene-3-thiophen-2-yl-quinolin-2-yl)-3-nitro-benzamide Openeye Name: N-[1-methyl-4-oxo-3-(2-thienyl)-2-quinolyl]-3-nitro-benzamide CAS Name: N-(1-methyl-4-oxo-3-thiophen-2-yl-2-quinolinyl)-3-nitrobenzamide IUPAC Name: N-(1-methyl-4-oxo-3-thiophen-2-ylquinolin-2-yl)-3-nitrobenzamide Traditional Name: N-[4-keto-1-methyl-3-(2-thienyl)-2-quinolyl]-3-nitro-benzamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H15N3O4S/c1-23-16-9-3-2-8-15(16)19(25)18(17-10-5-11-29-17)20(23)22-21(26)13-6-4-7-14(12-13)24(27)28/h2-12H,1H3,(H,22,26)