(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H15ClN2O7 MolecularWeight: 406.7739

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN2O7/c19-14-7-11(8-15-17(14)28-10-27-15)9-26-16(22)5-6-20-18(23)12-1-3-13(4-2-12)21(24)25/h1-4,7-8H,5-6,9-10H2,(H,20,23)