3-[(3Z)-4-ethyl-3-(3-methyl-1H-benzimidazol-2-ylidene)-2,7-bis(oxidanylidene)chromen-6-yl]propanoic acid

Systemtic Name: 3-[(3Z)-4-ethyl-3-(3-methyl-1H-benzimidazol-2-ylidene)-2,7-bis(oxidanylidene)chromen-6-yl]propanoic acid Openeye Name: 3-[(3Z)-4-ethyl-3-(3-methyl-1H-benzimidazol-2-ylidene)-2,7-dioxo-chromen-6-yl]propanoic acid CAS Name: 3-[(3Z)-4-ethyl-3-(3-methyl-1H-benzimidazol-2-ylidene)-2,7-dioxo-1-benzopyran-6-yl]propanoic acid IUPAC Name: 3-[(3Z)-4-ethyl-3-(3-methyl-1H-benzimidazol-2-ylidene)-2,7-dioxochromen-6-yl]propanoic acid Traditional Name: 3-[(3Z)-4-ethyl-2,7-diketo-3-(3-methyl-1H-benzimidazol-2-ylidene)chromen-6-yl]propionic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(C(=O)C=C2OC(=O)C1=C3NC4=CC=CC=C4N3C)CCC(=O)O

Isomeric SMILES

CCC\1=C2C=C(C(=O)C=C2OC(=O)/C1=C\3/NC4=CC=CC=C4N3C)CCC(=O)O

InChI

InChI=1S/C22H20N2O5/c1-3-13-14-10-12(8-9-19(26)27)17(25)11-18(14)29-22(28)20(13)21-23-15-6-4-5-7-16(15)24(21)2/h4-7,10-11,23H,3,8-9H2,1-2H3,(H,26,27)/b21-20-