1-adamantylmethyl 4-nitrobenzoate

Systemtic Name: 1-adamantylmethyl 4-nitrobenzoate Openeye Name: 1-adamantylmethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-adamantylmethyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H21NO4/c20-17(15-1-3-16(4-2-15)19(21)22)23-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2