7-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione

Systemtic Name: 7-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Openeye Name: 7-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione CAS Name: 7-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione IUPAC Name: 7-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-7,9-diazaspiro[4.4]nonane-6,8-dione Traditional Name: 7-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]-7,9-diazaspiro[4.4]nonane-6,8-quinone Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2C(=O)C3(CCCC3)NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2C(=O)C3(CCCC3)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-10-4-5-11(8-12(10)19(23)24)13(20)9-18-14(21)16(17-15(18)22)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,22)