3-(1,3-benzodioxol-5-ylamino)-1-(4-nitrophenyl)-3-oxidanyl-prop-2-en-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylamino)-1-(4-nitrophenyl)-3-oxidanyl-prop-2-en-1-one Openeye Name: 3-(1,3-benzodioxol-5-ylamino)-3-hydroxy-1-(4-nitrophenyl)prop-2-en-1-one CAS Name: 3-(1,3-benzodioxol-5-ylamino)-3-hydroxy-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 3-(1,3-benzodioxol-5-ylamino)-3-hydroxy-1-(4-nitrophenyl)prop-2-en-1-one Traditional Name: 3-(1,3-benzodioxol-5-ylamino)-3-hydroxy-1-(4-nitrophenyl)prop-2-en-1-one Formula: C16H12N2O6 MolecularWeight: 328.27628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O6/c19-13(10-1-4-12(5-2-10)18(21)22)8-16(20)17-11-3-6-14-15(7-11)24-9-23-14/h1-8,17,20H,9H2