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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCCC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCCC(=O)O

InChI

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