[3-[(4-ethoxycarbonylphenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-ethyl-azanium

Systemtic Name: [3-[(4-ethoxycarbonylphenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-ethyl-azanium Openeye Name: [3-[(4-ethoxycarbonylphenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-ethyl-ammonium CAS Name: [3-[[(4-ethoxycarbonylanilino)-oxomethyl]amino]-2-hydroxy-1-benzopyran-4-ylidene]-ethylammonium IUPAC Name: [3-[(4-ethoxycarbonylphenyl)carbamoylamino]-2-hydroxychromen-4-ylidene]-ethylazanium Traditional Name: [3-[(4-carbethoxyphenyl)carbamoylamino]-2-hydroxy-chromen-4-ylidene]-ethyl-ammonium Formula: C21H22N3O5+ MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]=C1C2=CC=CC=C2OC(=C1NC(=O)NC3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CC[NH+]=C1C2=CC=CC=C2OC(=C1NC(=O)NC3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C21H21N3O5/c1-3-22-17-15-7-5-6-8-16(15)29-20(26)18(17)24-21(27)23-14-11-9-13(10-12-14)19(25)28-4-2/h5-12,26H,3-4H2,1-2H3,(H2,23,24,27)/p+1