2-[1-adamantyl(methyl)amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[1-adamantyl(methyl)amino]ethyl 4-nitrobenzoate Openeye Name: 2-[1-adamantyl(methyl)amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[1-adamantyl(methyl)amino]ethyl ester IUPAC Name: 2-[1-adamantyl(methyl)amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[1-adamantyl(methyl)amino]ethyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O4/c1-21(20-11-14-8-15(12-20)10-16(9-14)13-20)6-7-26-19(23)17-2-4-18(5-3-17)22(24)25/h2-5,14-16H,6-13H2,1H3