(E)-4-oxidanylidene-4-(phenylmethoxymethoxy)but-2-enoic acid; pyrido[4,3-b]indol-1-one

Systemtic Name: (E)-4-oxidanylidene-4-(phenylmethoxymethoxy)but-2-enoic acid; pyrido[4,3-b]indol-1-one Openeye Name: (E)-4-(benzyloxymethoxy)-4-oxo-but-2-enoic acid; pyrido[4,3-b]indol-1-one CAS Name: (E)-4-oxo-4-(phenylmethoxymethoxy)-2-butenoic acid; 1-pyrido[4,3-b]indolone IUPAC Name: (E)-4-oxo-4-(phenylmethoxymethoxy)but-2-enoic acid; pyrido[4,3-b]indol-1-one Traditional Name: (E)-4-(benzoxymethoxy)-4-keto-but-2-enoic acid; pyrid[4,3-b]indol-1-one Formula: C23H18N2O6 MolecularWeight: 418.39882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCOC(=O)C=CC(=O)O.C1=CC2=C3C(=CC=NC3=O)N=C2C=C1

Isomeric SMILES

C1=CC=C(C=C1)COCOC(=O)/C=C/C(=O)O.C1=CC2=C3C(=CC=NC3=O)N=C2C=C1

InChI

InChI=1S/C12H12O5.C11H6N2O/c13-11(14)6-7-12(15)17-9-16-8-10-4-2-1-3-5-10;14-11-10-7-3-1-2-4-8(7)13-9(10)5-6-12-11/h1-7H,8-9H2,(H,13,14);1-6H/b7-6+;