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

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

Systemtic Name:4-[(1-ethanoyl-5-nitro-indol-3-yl)methyl]-3-methoxy-benzoic acid
Openeye Name:4-[(1-acetyl-5-nitro-indol-3-yl)methyl]-3-methoxy-benzoic acid
CAS Name:4-[(1-acetyl-5-nitro-3-indolyl)methyl]-3-methoxybenzoic acid
IUPAC Name:4-[(1-acetyl-5-nitroindol-3-yl)methyl]-3-methoxybenzoic acid
Traditional Name:4-[(1-acetyl-5-nitro-indol-3-yl)methyl]-3-methoxy-benzoic acid
Formula: C19H16N2O6
MolecularWeight: 368.34014
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CC3=C(C=C(C=C3)C(=O)O)OC


Isomeric SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)[N+](=O)[O-])CC3=C(C=C(C=C3)C(=O)O)OC


InChI

InChI=1S/C19H16N2O6/c1-11(22)20-10-14(16-9-15(21(25)26)5-6-17(16)20)7-12-3-4-13(19(23)24)8-18(12)27-2/h3-6,8-10H,7H2,1-2H3,(H,23,24)


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