4-methoxy-N-[(2S)-3-methyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-methoxy-N-[(2S)-3-methyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-methoxy-N-[(1S)-2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]benzamide CAS Name: 4-methoxy-N-[(2S)-3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-methoxy-N-[(2S)-3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide Traditional Name: 4-methoxy-N-[(1S)-2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]benzamide Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5/c1-14(2)19(24-20(26)15-4-10-18(30-3)11-5-15)21(27)23-13-12-22-16-6-8-17(9-7-16)25(28)29/h4-11,14,19,22H,12-13H2,1-3H3,(H,23,27)(H,24,26)/t19-/m0/s1