N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-[[(1R)-1-(1-adamantyl)ethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N[C@H](C)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4/c1-13(23-21(27)18-4-3-5-19(9-18)25(28)29)20(26)24-14(2)22-10-15-6-16(11-22)8-17(7-15)12-22/h3-5,9,13-17H,6-8,10-12H2,1-2H3,(H,23,27)(H,24,26)/t13-,14+,15?,16?,17?,22?/m0/s1