[3-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]-2-oxidanyl-chromen-4-ylidene]-(phenylmethyl)azanium

Systemtic Name: [3-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]-2-oxidanyl-chromen-4-ylidene]-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3-ethoxy-3-oxo-propanoyl)amino]-2-hydroxy-chromen-4-ylidene]ammonium CAS Name: [3-[(3-ethoxy-1,3-dioxopropyl)amino]-2-hydroxy-1-benzopyran-4-ylidene]-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3-ethoxy-3-oxopropanoyl)amino]-2-hydroxychromen-4-ylidene]azanium Traditional Name: benzyl-[3-[(3-ethoxy-3-keto-propanoyl)amino]-2-hydroxy-chromen-4-ylidene]ammonium Formula: C21H21N2O5+ MolecularWeight: 381.40184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=C(OC2=CC=CC=C2C1=[NH+]CC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)CC(=O)NC1=C(OC2=CC=CC=C2C1=[NH+]CC3=CC=CC=C3)O

InChI

InChI=1S/C21H20N2O5/c1-2-27-18(25)12-17(24)23-20-19(22-13-14-8-4-3-5-9-14)15-10-6-7-11-16(15)28-21(20)26/h3-11,26H,2,12-13H2,1H3,(H,23,24)/p+1