(2S)-5-[(2-nitrophenyl)amino]-5-oxidanylidene-2-propan-2-yl-pentanoate

Systemtic Name: (2S)-5-[(2-nitrophenyl)amino]-5-oxidanylidene-2-propan-2-yl-pentanoate Openeye Name: (2S)-2-isopropyl-5-(2-nitroanilino)-5-oxo-pentanoate CAS Name: (2S)-5-(2-nitroanilino)-5-oxo-2-propan-2-ylpentanoate IUPAC Name: (2S)-5-(2-nitroanilino)-5-oxo-2-propan-2-ylpentanoate Traditional Name: (2S)-2-isopropyl-5-keto-5-(2-nitroanilino)valerate Formula: C14H17N2O5- MolecularWeight: 293.29518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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