5-cyano-2-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-3-nitro-pyrrole-1-carboxylic acid

Systemtic Name: 5-cyano-2-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-3-nitro-pyrrole-1-carboxylic acid Openeye Name: 5-cyano-2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-3-nitro-pyrrole-1-carboxylic acid CAS Name: 5-cyano-2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-3-nitro-1-pyrrolecarboxylic acid IUPAC Name: 5-cyano-2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-3-nitropyrrole-1-carboxylic acid Traditional Name: 5-cyano-2-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-3-nitro-pyrrole-1-carboxylic acid Formula: C16H12N4O6 MolecularWeight: 356.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=C(C=C(N3C(=O)O)C#N)[N+](=O)[O-])NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=C(C=C(N3C(=O)O)C#N)[N+](=O)[O-])NC(=O)O1)C

InChI

InChI=1S/C16H12N4O6/c1-16(2)10-5-8(3-4-11(10)18-14(21)26-16)13-12(20(24)25)6-9(7-17)19(13)15(22)23/h3-6H,1-2H3,(H,18,21)(H,22,23)