5-[[3-[(E)-2-nitroethenyl]indol-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-[(E)-2-nitroethenyl]indol-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[3-[(E)-2-nitrovinyl]indol-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[3-[(E)-2-nitroethenyl]-1-indolyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-[(E)-2-nitroethenyl]indol-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[3-[(E)-2-nitrovinyl]indol-1-yl]methyl]-2-furoic acid Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(O3)C(=O)O)C=C[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(O3)C(=O)O)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5/c19-16(20)15-6-5-12(23-15)10-17-9-11(7-8-18(21)22)13-3-1-2-4-14(13)17/h1-9H,10H2,(H,19,20)/b8-7+