N-(1,3-benzothiazol-2-yl)-3-[2-(2-nitrophenyl)carbonylhydrazinyl]-3-oxidanylidene-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[2-(2-nitrophenyl)carbonylhydrazinyl]-3-oxidanylidene-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-[2-(2-nitrobenzoyl)hydrazino]-3-oxo-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[[(2-nitrophenyl)-oxomethyl]hydrazo]-3-oxopropanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-[2-(2-nitrobenzoyl)hydrazinyl]-3-oxopropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-keto-3-[N'-(2-nitrobenzoyl)hydrazino]propionamide Formula: C17H13N5O5S MolecularWeight: 399.38062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC(=O)CC(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC(=O)CC(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5S/c23-14(19-17-18-11-6-2-4-8-13(11)28-17)9-15(24)20-21-16(25)10-5-1-3-7-12(10)22(26)27/h1-8H,9H2,(H,20,24)(H,21,25)(H,18,19,23)