N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-5-nitro-quinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-5-nitro-quinoline-2-carboxamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-5-nitro-quinoline-2-carboxamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-nitro-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-nitroquinoline-2-carboxamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-5-nitro-quinaldamide Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=NC2=C(C=C1)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)NC(=O)C1=NC2=C(C=C1)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4/c1-11(2)10-15(17(24)20-9-8-19)22-18(25)14-7-6-12-13(21-14)4-3-5-16(12)23(26)27/h3-7,11,15H,9-10H2,1-2H3,(H,20,24)(H,22,25)/t15-/m0/s1