1-adamantyl-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]ammonium Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN3O3/c19-15-6-14(22(24)25)1-2-16(15)21-17(23)10-20-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,20H,3-5,7-10H2,(H,21,23)/p+1