methyl N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]carbamate

Systemtic Name: methyl N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]carbamate Openeye Name: methyl N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]carbamate CAS Name: N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]carbamate Traditional Name: N-[[(5S,7R)-3-(4-nitrophenyl)-1-adamantyl]methyl]carbamic acid methyl ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCC12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NCC12C[C@H]3C[C@@H](C1)CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O4/c1-25-17(22)20-12-18-7-13-6-14(8-18)10-19(9-13,11-18)15-2-4-16(5-3-15)21(23)24/h2-5,13-14H,6-12H2,1H3,(H,20,22)/t13-,14+,18?,19?