N-(1,3-benzothiazol-2-yl)-3-nitro-2-oxidanylidene-3-[7-(phenylcarbonyl)quinoxalin-2-yl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-nitro-2-oxidanylidene-3-[7-(phenylcarbonyl)quinoxalin-2-yl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(7-benzoylquinoxalin-2-yl)-3-nitro-2-oxo-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(7-benzoyl-2-quinoxalinyl)-3-nitro-2-oxopropanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(7-benzoylquinoxalin-2-yl)-3-nitro-2-oxopropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(7-benzoylquinoxalin-2-yl)-2-keto-3-nitro-propionamide Formula: C25H15N5O5S MolecularWeight: 497.4821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=NC(=CN=C3C=C2)C(C(=O)C(=O)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=NC(=CN=C3C=C2)C(C(=O)C(=O)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C25H15N5O5S/c31-22(14-6-2-1-3-7-14)15-10-11-16-18(12-15)27-19(13-26-16)21(30(34)35)23(32)24(33)29-25-28-17-8-4-5-9-20(17)36-25/h1-13,21H,(H,28,29,33)