[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl-[(3-methoxyphenyl)methyl]azanium

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl-[(3-methoxyphenyl)methyl]azanium Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl-[(3-methoxyphenyl)methyl]ammonium CAS Name: [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl-[(3-methoxyphenyl)methyl]ammonium IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl-[(3-methoxyphenyl)methyl]azanium Traditional Name: [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl-m-anisyl-ammonium Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H22N2O5/c1-3-27-21(25)23-16-7-8-18-15(10-20(24)28-19(18)11-16)13-22-12-14-5-4-6-17(9-14)26-2/h4-11,22H,3,12-13H2,1-2H3,(H,23,25)/p+1