3-[(5-nitroindol-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(5-nitroindol-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-[(5-nitroindol-1-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(5-nitro-1-indolyl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(5-nitroindol-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(5-nitroindol-1-yl)methyl]-2-furoic acid Formula: C14H10N2O5 MolecularWeight: 286.2396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CC3=C(OC=C3)C(=O)O)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN2CC3=C(OC=C3)C(=O)O)C=C1[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5/c17-14(18)13-10(4-6-21-13)8-15-5-3-9-7-11(16(19)20)1-2-12(9)15/h1-7H,8H2,(H,17,18)