1,3-benzodioxol-5-yl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]propanoate Openeye Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chloro-3-nitro-benzoyl)amino]propionic acid 1,3-benzodioxol-5-yl ester Formula: C17H13ClN2O7 MolecularWeight: 392.74732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O7/c1-9(17(22)27-11-3-5-14-15(7-11)26-8-25-14)19-16(21)10-2-4-12(18)13(6-10)20(23)24/h2-7,9H,8H2,1H3,(H,19,21)/t9-/m0/s1