4-[2-methyl-3-(3-nitrophenyl)carbonyl-indol-1-yl]butanoic acid

Systemtic Name: 4-[2-methyl-3-(3-nitrophenyl)carbonyl-indol-1-yl]butanoic acid Openeye Name: 4-[2-methyl-3-(3-nitrobenzoyl)indol-1-yl]butanoic acid CAS Name: 4-[2-methyl-3-[(3-nitrophenyl)-oxomethyl]-1-indolyl]butanoic acid IUPAC Name: 4-[2-methyl-3-(3-nitrobenzoyl)indol-1-yl]butanoic acid Traditional Name: 4-[2-methyl-3-(3-nitrobenzoyl)indol-1-yl]butyric acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CCCC(=O)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CCCC(=O)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5/c1-13-19(20(25)14-6-4-7-15(12-14)22(26)27)16-8-2-3-9-17(16)21(13)11-5-10-18(23)24/h2-4,6-9,12H,5,10-11H2,1H3,(H,23,24)