methyl 4-(5-nitroindol-1-yl)butanoate

Systemtic Name: methyl 4-(5-nitroindol-1-yl)butanoate Openeye Name: methyl 4-(5-nitroindol-1-yl)butanoate CAS Name: 4-(5-nitro-1-indolyl)butanoic acid methyl ester IUPAC Name: methyl 4-(5-nitroindol-1-yl)butanoate Traditional Name: 4-(5-nitroindol-1-yl)butyric acid methyl ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C=CC2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCN1C=CC2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-19-13(16)3-2-7-14-8-6-10-9-11(15(17)18)4-5-12(10)14/h4-6,8-9H,2-3,7H2,1H3