3-(1,3-benzodioxol-5-ylamino)-1-(3-nitrophenyl)propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-1-(3-nitrophenyl)propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-1-(3-nitrophenyl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-ylamino)-1-(3-nitrophenyl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-1-(3-nitrophenyl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-1-(3-nitrophenyl)propan-1-one Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c19-14(11-2-1-3-13(8-11)18(20)21)6-7-17-12-4-5-15-16(9-12)23-10-22-15/h1-5,8-9,17H,6-7,10H2