3-methyl-N-[(2S)-3-methyl-1-[2-[(2-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[(2S)-3-methyl-1-[2-[(2-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1S)-2-methyl-1-[2-(2-nitroanilino)ethylcarbamoyl]propyl]benzamide CAS Name: 3-methyl-N-[(2S)-3-methyl-1-[2-(2-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide IUPAC Name: 3-methyl-N-[(2S)-3-methyl-1-[2-(2-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide Traditional Name: 3-methyl-N-[(1S)-2-methyl-1-[2-(2-nitroanilino)ethylcarbamoyl]propyl]benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-14(2)19(24-20(26)16-8-6-7-15(3)13-16)21(27)23-12-11-22-17-9-4-5-10-18(17)25(28)29/h4-10,13-14,19,22H,11-12H2,1-3H3,(H,23,27)(H,24,26)/t19-/m0/s1