N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-4-nitro-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-keto-2-(2-methoxyethylamino)ethyl]-4-nitro-benzamide Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5/c1-30-7-6-23-21(27)19(22-11-14-8-15(12-22)10-16(9-14)13-22)24-20(26)17-2-4-18(5-3-17)25(28)29/h2-5,14-16,19H,6-13H2,1H3,(H,23,27)(H,24,26)/t14?,15?,16?,19-,22?/m1/s1