1-(1,3-benzodioxol-5-yl)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-en-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-en-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(methylamino)-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(methylamino)-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-en-1-one Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5/c1-18-13-5-2-11(8-14(13)19(21)22)3-6-15(20)12-4-7-16-17(9-12)24-10-23-16/h2-9,18H,10H2,1H3