2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]-5-nitro-benzoic acid Openeye Name: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]-5-nitro-benzoic acid CAS Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]-5-nitrobenzoic acid IUPAC Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]-5-nitrobenzoic acid Traditional Name: 2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]-5-nitro-benzoic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)C1)C

InChI

InChI=1S/C16H16N2O6/c1-16(2)6-13(19)11(14(20)7-16)8-17-12-4-3-9(18(23)24)5-10(12)15(21)22/h3-5,8,17H,6-7H2,1-2H3,(H,21,22)