N-[(1S)-1-(2-adamantyl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[(1S)-1-(2-adamantyl)ethyl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-(2-adamantyl)ethyl]-3-nitro-benzamide CAS Name: N-[(1S)-1-(2-adamantyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(2-adamantyl)ethyl]-3-nitrobenzamide Traditional Name: N-[(1S)-1-(2-adamantyl)ethyl]-3-nitro-benzamide Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC3CC(C2)CC1C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1C2CC3CC(C2)CC1C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O3/c1-11(18-15-6-12-5-13(8-15)9-16(18)7-12)20-19(22)14-3-2-4-17(10-14)21(23)24/h2-4,10-13,15-16,18H,5-9H2,1H3,(H,20,22)/t11-,12?,13?,15?,16?,18?/m0/s1