1-[4-(1,3-benzodioxol-5-ylamino)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylamino)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylamino)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylamino)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylamino)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(1,3-benzodioxol-5-ylamino)-3-nitro-phenyl]ethanone Formula: C15H12N2O5 MolecularWeight: 300.26618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O5/c1-9(18)10-2-4-12(13(6-10)17(19)20)16-11-3-5-14-15(7-11)22-8-21-14/h2-7,16H,8H2,1H3