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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N4O4/c1-3-15(2)19(24-20(26)16-9-5-4-6-10-16)21(27)23-14-13-22-17-11-7-8-12-18(17)25(28)29/h4-12,15,19,22H,3,13-14H2,1-2H3,(H,23,27)(H,24,26)/t15-,19-/m0/s1