N-[(2S)-1-(1-adamantylmethylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(1-adamantylmethylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(1-adamantylmethylamino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(1-adamantylmethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(1-adamantylmethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(1-adamantylmethylamino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4/c1-13(23-20(26)17-3-2-4-18(8-17)24(27)28)19(25)22-12-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,13-16H,5-7,9-12H2,1H3,(H,22,25)(H,23,26)/t13-,14?,15?,16?,21?/m0/s1