[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C21H24ClN3O6 MolecularWeight: 449.88476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O6/c22-16-2-1-15(6-17(16)25(29)30)24-18(26)11-31-19(27)10-23-20(28)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,12-14H,3-5,7-11H2,(H,23,28)(H,24,26)