methyl 2-[2-chloranyl-4,4-dimethyl-1,3-bis(oxidanylidene)-1-phenylazanyl-pentan-2-yl]-5-nitro-1-oxidanylidene-4H-imidazol-1-ium-5-carboxylate

Systemtic Name: methyl 2-[2-chloranyl-4,4-dimethyl-1,3-bis(oxidanylidene)-1-phenylazanyl-pentan-2-yl]-5-nitro-1-oxidanylidene-4H-imidazol-1-ium-5-carboxylate Openeye Name: methyl 2-[1-chloro-3,3-dimethyl-2-oxo-1-(phenylcarbamoyl)butyl]-5-nitro-1-oxo-4H-imidazol-1-ium-5-carboxylate CAS Name: 2-(1-anilino-2-chloro-4,4-dimethyl-1,3-dioxopentan-2-yl)-5-nitro-1-oxo-4H-imidazol-1-ium-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-anilino-2-chloro-4,4-dimethyl-1,3-dioxopentan-2-yl)-5-nitro-1-oxo-4H-imidazol-1-ium-5-carboxylate Traditional Name: 2-[1-chloro-2-keto-3,3-dimethyl-1-(phenylcarbamoyl)butyl]-3-keto-4-nitro-2-imidazolin-3-ium-4-carboxylic acid methyl ester Formula: C18H20ClN4O7+ MolecularWeight: 439.827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C1=NCC([N+]1=O)(C(=O)OC)[N+](=O)[O-])(C(=O)NC2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)(C)C(=O)C(C1=NCC([N+]1=O)(C(=O)OC)[N+](=O)[O-])(C(=O)NC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H19ClN4O7/c1-16(2,3)12(24)18(19,14(25)21-11-8-6-5-7-9-11)13-20-10-17(22(13)27,23(28)29)15(26)30-4/h5-9H,10H2,1-4H3/p+1