4,4-dimethyl-7-(2-nitrophenyl)imino-6-oxidanylidene-3,5-dihydroazepin-2-olate

Systemtic Name: 4,4-dimethyl-7-(2-nitrophenyl)imino-6-oxidanylidene-3,5-dihydroazepin-2-olate Openeye Name: 4,4-dimethyl-7-(2-nitrophenyl)imino-6-oxo-3,5-dihydroazepin-2-olate CAS Name: 4,4-dimethyl-7-(2-nitrophenyl)imino-6-oxo-3,5-dihydroazepin-2-olate IUPAC Name: 4,4-dimethyl-7-(2-nitrophenyl)imino-6-oxo-3,5-dihydroazepin-2-olate Traditional Name: 6-keto-4,4-dimethyl-7-(2-nitrophenyl)imino-3,5-dihydroazepin-2-olate Formula: C14H14N3O4- MolecularWeight: 288.27866

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=NC2=CC=CC=C2[N+](=O)[O-])N=C(C1)[O-])C

Isomeric SMILES

CC1(CC(=O)C(=NC2=CC=CC=C2[N+](=O)[O-])N=C(C1)[O-])C

InChI

InChI=1S/C14H15N3O4/c1-14(2)7-11(18)13(16-12(19)8-14)15-9-5-3-4-6-10(9)17(20)21/h3-6H,7-8H2,1-2H3,(H,15,16,19)/p-1