(3S)-3-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3-nitrophenyl)propanoate

Systemtic Name: (3S)-3-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3-nitrophenyl)propanoate Openeye Name: (3S)-3-(1,3-benzodioxole-5-carbonylamino)-3-(3-nitrophenyl)propanoate CAS Name: (3S)-3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-(3-nitrophenyl)propanoate IUPAC Name: (3S)-3-(1,3-benzodioxole-5-carbonylamino)-3-(3-nitrophenyl)propanoate Traditional Name: (3S)-3-(3-nitrophenyl)-3-(piperonyloylamino)propionate Formula: C17H13N2O7- MolecularWeight: 357.29432

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CC(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N[C@@H](CC(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7/c20-16(21)8-13(10-2-1-3-12(6-10)19(23)24)18-17(22)11-4-5-14-15(7-11)26-9-25-14/h1-7,13H,8-9H2,(H,18,22)(H,20,21)/p-1/t13-/m0/s1