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

Systemtic Name: (E)-3-[2-oxidanylidene-1-(1H-pyrrol-2-ylmethylidene)-3H-indol-1-ium-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-oxo-1-(1H-pyrrol-2-ylmethylene)indolin-1-ium-4-yl]prop-2-enoic acid CAS Name: (E)-3-[2-oxo-1-(1H-pyrrol-2-ylmethylidene)-3H-indol-1-ium-4-yl]-2-propenoic acid IUPAC Name: (E)-3-[2-oxo-1-(1H-pyrrol-2-ylmethylidene)-3H-indol-1-ium-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-keto-1-(1H-pyrrol-2-ylmethylene)indolin-1-ium-4-yl]acrylic acid Formula: C16H13N2O3+ MolecularWeight: 281.28602

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=C2[N+](=CC3=CC=CN3)C1=O)C=CC(=O)O

Isomeric SMILES

C1C2=C(C=CC=C2[N+](=CC3=CC=CN3)C1=O)/C=C/C(=O)O

InChI

InChI=1S/C16H12N2O3/c19-15-9-13-11(6-7-16(20)21)3-1-5-14(13)18(15)10-12-4-2-8-17-12/h1-8,10H,9H2,(H,20,21)/p+1/b7-6+