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

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O7/c1-2-32-17-3-4-18(19(8-17)26(30)31)25-20(27)13-33-21(28)12-24-22(29)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,14-16H,2,5-7,9-13H2,1H3,(H,24,29)(H,25,27)