(E)-3-[1-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-3H-indol-1-ium-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-3H-indol-1-ium-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2-oxo-indolin-1-ium-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-3H-indol-1-ium-4-yl]-2-propenoic acid IUPAC Name: (E)-3-[1-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-oxo-3H-indol-1-ium-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-keto-1-[(3-methoxy-1H-pyrrol-2-yl)methylene]indolin-1-ium-4-yl]acrylic acid Formula: C17H15N2O4+ MolecularWeight: 311.312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC=C1)C=[N+]2C(=O)CC3=C(C=CC=C32)C=CC(=O)O

Isomeric SMILES

COC1=C(NC=C1)C=[N+]2C(=O)CC3=C(C=CC=C32)/C=C/C(=O)O

InChI

InChI=1S/C17H14N2O4/c1-23-15-7-8-18-13(15)10-19-14-4-2-3-11(5-6-17(21)22)12(14)9-16(19)20/h2-8,10H,9H2,1H3,(H,21,22)/p+1/b6-5+