methyl (2S)-2-[(5-nitronaphthalen-1-yl)carbonylamino]hexanoate

Systemtic Name: methyl (2S)-2-[(5-nitronaphthalen-1-yl)carbonylamino]hexanoate Openeye Name: methyl (2S)-2-[(5-nitronaphthalene-1-carbonyl)amino]hexanoate CAS Name: (2S)-2-[[(5-nitro-1-naphthalenyl)-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-nitronaphthalene-1-carbonyl)amino]hexanoate Traditional Name: (2S)-2-[(5-nitro-1-naphthoyl)amino]hexanoic acid methyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCC[C@@H](C(=O)OC)NC(=O)C1=CC=CC2=C1C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5/c1-3-4-10-15(18(22)25-2)19-17(21)14-9-5-8-13-12(14)7-6-11-16(13)20(23)24/h5-9,11,15H,3-4,10H2,1-2H3,(H,19,21)/t15-/m0/s1