N-(6-nitro-1,3-benzothiazol-2-yl)-3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide Traditional Name: 3-(3-keto-4H-quinoxalin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4S/c24-16(8-7-14-17(25)20-12-4-2-1-3-11(12)19-14)22-18-21-13-6-5-10(23(26)27)9-15(13)28-18/h1-6,9H,7-8H2,(H,20,25)(H,21,22,24)