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

Systemtic Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-4-chloro-3-nitro-benzamide Formula: C17H14ClN3O6 MolecularWeight: 391.76256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O6/c1-9(16(22)20-11-3-5-14-15(7-11)27-8-26-14)19-17(23)10-2-4-12(18)13(6-10)21(24)25/h2-7,9H,8H2,1H3,(H,19,23)(H,20,22)/t9-/m1/s1