2-[[(5-nitro-1,3-thiazol-2-yl)amino]methylidene]indene-1,3-dione

Systemtic Name: 2-[[(5-nitro-1,3-thiazol-2-yl)amino]methylidene]indene-1,3-dione Openeye Name: 2-[[(5-nitrothiazol-2-yl)amino]methylene]indane-1,3-dione CAS Name: 2-[[(5-nitro-2-thiazolyl)amino]methylidene]indene-1,3-dione IUPAC Name: 2-[[(5-nitro-1,3-thiazol-2-yl)amino]methylidene]indene-1,3-dione Traditional Name: 2-[[(5-nitrothiazol-2-yl)amino]methylene]indane-1,3-quinone Formula: C13H7N3O4S MolecularWeight: 301.27738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CNC3=NC=C(S3)[N+](=O)[O-])C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CNC3=NC=C(S3)[N+](=O)[O-])C2=O

InChI

InChI=1S/C13H7N3O4S/c17-11-7-3-1-2-4-8(7)12(18)9(11)5-14-13-15-6-10(21-13)16(19)20/h1-6H,(H,14,15)