[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-bromanyl-chromen-2-ylidene]azanium

Systemtic Name: [3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-bromanyl-chromen-2-ylidene]azanium Openeye Name: [3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-bromo-chromen-2-ylidene]ammonium CAS Name: [3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-6-bromo-1-benzopyran-2-ylidene]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-6-bromochromen-2-ylidene]azanium Traditional Name: [6-bromo-3-(piperonylcarbamoyl)chromen-2-ylidene]ammonium Formula: C18H14BrN2O4+ MolecularWeight: 402.21876

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=[NH2+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=[NH2+]

InChI

InChI=1S/C18H13BrN2O4/c19-12-2-4-14-11(6-12)7-13(17(20)25-14)18(22)21-8-10-1-3-15-16(5-10)24-9-23-15/h1-7,20H,8-9H2,(H,21,22)/p+1