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4-[(5-nitro-1H-indol-3-yl)methyl]benzoic acid

4-[(5-nitro-1H-indol-3-yl)methyl]benzoic acid

Systemtic Name:4-[(5-nitro-1H-indol-3-yl)methyl]benzoic acid
Openeye Name:4-[(5-nitro-1H-indol-3-yl)methyl]benzoic acid
CAS Name:4-[(5-nitro-1H-indol-3-yl)methyl]benzoic acid
IUPAC Name:4-[(5-nitro-1H-indol-3-yl)methyl]benzoic acid
Traditional Name:4-[(5-nitro-1H-indol-3-yl)methyl]benzoic acid
Formula: C16H12N2O4
MolecularWeight: 296.27748
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O


Isomeric SMILES

C1=CC(=CC=C1CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C(=O)O


InChI

InChI=1S/C16H12N2O4/c19-16(20)11-3-1-10(2-4-11)7-12-9-17-15-6-5-13(18(21)22)8-14(12)15/h1-6,8-9,17H,7H2,(H,19,20)


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