N-[3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-[(5-nitrothiazol-2-yl)amino]-3-oxo-propyl]benzamide CAS Name: N-[3-[(5-nitro-2-thiazolyl)amino]-3-oxopropyl]benzamide IUPAC Name: N-[3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide Traditional Name: N-[3-keto-3-[(5-nitrothiazol-2-yl)amino]propyl]benzamide Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S/c18-10(16-13-15-8-11(22-13)17(20)21)6-7-14-12(19)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,19)(H,15,16,18)