ethyl 2-[3-[4-[(4-nitrophenyl)carbonylamino]phenyl]-1-adamantyl]ethanoate

Systemtic Name: ethyl 2-[3-[4-[(4-nitrophenyl)carbonylamino]phenyl]-1-adamantyl]ethanoate Openeye Name: ethyl 2-[3-[4-[(4-nitrobenzoyl)amino]phenyl]-1-adamantyl]acetate CAS Name: 2-[3-[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-1-adamantyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[(4-nitrobenzoyl)amino]phenyl]-1-adamantyl]acetate Traditional Name: 2-[3-[4-[(4-nitrobenzoyl)amino]phenyl]-1-adamantyl]acetic acid ethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H30N2O5/c1-2-34-24(30)16-26-12-18-11-19(13-26)15-27(14-18,17-26)21-5-7-22(8-6-21)28-25(31)20-3-9-23(10-4-20)29(32)33/h3-10,18-19H,2,11-17H2,1H3,(H,28,31)