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

Systemtic Name: 2-chloranyl-N-[(2S)-3-methyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[(2S)-3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]benzamide Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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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=CC=C2Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H23ClN4O4/c1-13(2)18(24-19(26)16-5-3-4-6-17(16)21)20(27)23-12-11-22-14-7-9-15(10-8-14)25(28)29/h3-10,13,18,22H,11-12H2,1-2H3,(H,23,27)(H,24,26)/t18-/m0/s1