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

Systemtic Name: 5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-3-nitro-1H-pyrrole-2-carbonitrile Openeye Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-3-nitro-1H-pyrrole-2-carbonitrile CAS Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-3-nitro-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-3-nitro-1H-pyrrole-2-carbonitrile Traditional Name: 5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-3-nitro-1H-pyrrole-2-carbonitrile Formula: C15H12N4O4 MolecularWeight: 312.28018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC(=C(N3)C#N)[N+](=O)[O-])NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC(=C(N3)C#N)[N+](=O)[O-])NC(=O)O1)C

InChI

InChI=1S/C15H12N4O4/c1-15(2)9-5-8(3-4-10(9)18-14(20)23-15)11-6-13(19(21)22)12(7-16)17-11/h3-6,17H,1-2H3,(H,18,20)