N-[azanyl-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methyl]-4-nitro-benzamide

Systemtic Name: N-[azanyl-[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methyl]-4-nitro-benzamide Openeye Name: N-[amino-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methyl]-4-nitro-benzamide CAS Name: N-[amino-(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-4-nitrobenzamide IUPAC Name: N-[amino-(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-4-nitrobenzamide Traditional Name: N-[amino-(2,6-diketo-4,4-dimethyl-cyclohexylidene)methyl]-4-nitro-benzamide Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-16(2)7-11(20)13(12(21)8-16)14(17)18-15(22)9-3-5-10(6-4-9)19(23)24/h3-6H,7-8,17H2,1-2H3,(H,18,22)