N-[3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(2-methyl-5-nitro-anilino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(2-methyl-5-nitroanilino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-methyl-5-nitroanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-(2-methyl-5-nitro-anilino)propyl]adamantane-1-carboxamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

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