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

Systemtic Name: N-[(2S)-3-methyl-1-[2-[(4-nitrophenyl)amino]ethylamino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]furan-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[2-(4-nitroanilino)ethylamino]-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[2-(4-nitroanilino)ethylcarbamoyl]propyl]-2-furamide Formula: C18H22N4O5 MolecularWeight: 374.39108

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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=CO2

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCNC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H22N4O5/c1-12(2)16(21-17(23)15-4-3-11-27-15)18(24)20-10-9-19-13-5-7-14(8-6-13)22(25)26/h3-8,11-12,16,19H,9-10H2,1-2H3,(H,20,24)(H,21,23)/t16-/m0/s1