[3-[(5-bromanylfuran-2-yl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-(phenylmethyl)azanium

Systemtic Name: [3-[(5-bromanylfuran-2-yl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(5-bromofuran-2-carbonyl)amino]-2-hydroxy-chromen-4-ylidene]ammonium CAS Name: [3-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(5-bromofuran-2-carbonyl)amino]-2-hydroxychromen-4-ylidene]azanium Traditional Name: benzyl-[3-[(5-bromo-2-furoyl)amino]-2-hydroxy-chromen-4-ylidene]ammonium Formula: C21H16BrN2O4+ MolecularWeight: 440.26674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)C4=CC=C(O4)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C[NH+]=C2C3=CC=CC=C3OC(=C2NC(=O)C4=CC=C(O4)Br)O

InChI

InChI=1S/C21H15BrN2O4/c22-17-11-10-16(27-17)20(25)24-19-18(23-12-13-6-2-1-3-7-13)14-8-4-5-9-15(14)28-21(19)26/h1-11,26H,12H2,(H,24,25)/p+1