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

Systemtic Name: N-[3-methyl-1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[(2-methyl-5-nitro-phenyl)carbamoyl]propyl]adamantane-1-carboxamide Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4/c1-13(2)20(21(27)24-19-9-18(26(29)30)5-4-14(19)3)25-22(28)23-10-15-6-16(11-23)8-17(7-15)12-23/h4-5,9,13,15-17,20H,6-8,10-12H2,1-3H3,(H,24,27)(H,25,28)