N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl]-3-nitro-benzamide Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6/c1-10(21-18(24)12-3-4-13(19)14(7-12)22(25)26)17(23)20-8-11-2-5-15-16(6-11)28-9-27-15/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,24)/t10-/m0/s1