4-[3-(3-nitrophenyl)carbonylindol-1-yl]butanoic acid

Systemtic Name: 4-[3-(3-nitrophenyl)carbonylindol-1-yl]butanoic acid Openeye Name: 4-[3-(3-nitrobenzoyl)indol-1-yl]butanoic acid CAS Name: 4-[3-[(3-nitrophenyl)-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[3-(3-nitrobenzoyl)indol-1-yl]butanoic acid Traditional Name: 4-[3-(3-nitrobenzoyl)indol-1-yl]butyric acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCCC(=O)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCCC(=O)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O5/c22-18(23)9-4-10-20-12-16(15-7-1-2-8-17(15)20)19(24)13-5-3-6-14(11-13)21(25)26/h1-3,5-8,11-12H,4,9-10H2,(H,22,23)