N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl]-3-nitro-benzamide Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c1-11(20-18(23)13-3-2-4-14(8-13)21(24)25)17(22)19-9-12-5-6-15-16(7-12)27-10-26-15/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,23)/t11-/m0/s1