N-[(2R)-3-methyl-1-[(3-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-[(3-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-2-methyl-1-[(3-nitrophenyl)carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-3-methyl-1-(3-nitroanilino)-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-(3-nitroanilino)-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-2-methyl-1-[(3-nitrophenyl)carbamoyl]propyl]adamantane-1-carboxamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29N3O4/c1-13(2)19(20(26)23-17-4-3-5-18(9-17)25(28)29)24-21(27)22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,13-16,19H,6-8,10-12H2,1-2H3,(H,23,26)(H,24,27)/t14?,15?,16?,19-,22?/m1/s1