(2S)-5-[(3-nitrophenyl)amino]-5-oxidanylidene-2-propyl-pentanoate

Systemtic Name: (2S)-5-[(3-nitrophenyl)amino]-5-oxidanylidene-2-propyl-pentanoate Openeye Name: (2S)-5-(3-nitroanilino)-5-oxo-2-propyl-pentanoate CAS Name: (2S)-5-(3-nitroanilino)-5-oxo-2-propylpentanoate IUPAC Name: (2S)-5-(3-nitroanilino)-5-oxo-2-propylpentanoate Traditional Name: (2S)-5-keto-5-(3-nitroanilino)-2-propyl-valerate Formula: C14H17N2O5- MolecularWeight: 293.29518

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC[C@@H](CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H18N2O5/c1-2-4-10(14(18)19)7-8-13(17)15-11-5-3-6-12(9-11)16(20)21/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,15,17)(H,18,19)/p-1/t10-/m0/s1