[3-[(4-bromophenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-(phenylmethyl)azanium

Systemtic Name: [3-[(4-bromophenyl)carbonylamino]-2-oxidanyl-chromen-4-ylidene]-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(4-bromobenzoyl)amino]-2-hydroxy-chromen-4-ylidene]ammonium CAS Name: [3-[[(4-bromophenyl)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(4-bromobenzoyl)amino]-2-hydroxychromen-4-ylidene]azanium Traditional Name: benzyl-[3-[(4-bromobenzoyl)amino]-2-hydroxy-chromen-4-ylidene]ammonium Formula: C23H18BrN2O3+ MolecularWeight: 450.30462

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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(C=C4)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O3/c24-17-12-10-16(11-13-17)22(27)26-21-20(25-14-15-6-2-1-3-7-15)18-8-4-5-9-19(18)29-23(21)28/h1-13,28H,14H2,(H,26,27)/p+1