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

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

Systemtic Name:3-methoxy-4-[(1-methyl-5-nitro-indol-3-yl)methyl]benzoic acid
Openeye Name:3-methoxy-4-[(1-methyl-5-nitro-indol-3-yl)methyl]benzoic acid
CAS Name:3-methoxy-4-[(1-methyl-5-nitro-3-indolyl)methyl]benzoic acid
IUPAC Name:3-methoxy-4-[(1-methyl-5-nitroindol-3-yl)methyl]benzoic acid
Traditional Name:3-methoxy-4-[(1-methyl-5-nitro-indol-3-yl)methyl]benzoic acid
Formula: C18H16N2O5
MolecularWeight: 340.33004
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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CC3=C(C=C(C=C3)C(=O)O)OC


Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CC3=C(C=C(C=C3)C(=O)O)OC


InChI

InChI=1S/C18H16N2O5/c1-19-10-13(15-9-14(20(23)24)5-6-16(15)19)7-11-3-4-12(18(21)22)8-17(11)25-2/h3-6,8-10H,7H2,1-2H3,(H,21,22)


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