N-[4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(2-methyl-5-nitro-phenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(2-methyl-5-nitro-anilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(2-methyl-5-nitroanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(2-methyl-5-nitroanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-(2-methyl-5-nitro-anilino)butyl]adamantane-1-carboxamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-14-4-5-18(25(28)29)10-19(14)24-20(26)3-2-6-23-21(27)22-11-15-7-16(12-22)9-17(8-15)13-22/h4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,23,27)(H,24,26)