[3-[(4-bromanyl-3-methyl-phenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-methyl-azanium

Systemtic Name: [3-[(4-bromanyl-3-methyl-phenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-methyl-azanium Openeye Name: [3-[(4-bromo-3-methyl-phenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-methyl-ammonium CAS Name: [3-[[(4-bromo-3-methylanilino)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-methylammonium IUPAC Name: [3-[(4-bromo-3-methylphenyl)carbamoylamino]-2-hydroxychromen-4-ylidene]-methylazanium Traditional Name: [3-[(4-bromo-3-methyl-phenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-methyl-ammonium Formula: C18H17BrN3O3+ MolecularWeight: 403.24988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C)O)Br

InChI

InChI=1S/C18H16BrN3O3/c1-10-9-11(7-8-13(10)19)21-18(24)22-16-15(20-2)12-5-3-4-6-14(12)25-17(16)23/h3-9,23H,1-2H3,(H2,21,22,24)/p+1