2-[5-methoxy-2-methyl-1-[4-(2-methyl-2-nitroso-3-oxidanylidene-butanoyl)phenyl]carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-2-methyl-1-[4-(2-methyl-2-nitroso-3-oxidanylidene-butanoyl)phenyl]carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-methoxy-2-methyl-1-[4-(2-methyl-2-nitroso-3-oxo-butanoyl)benzoyl]indol-3-yl]acetic acid CAS Name: 2-[5-methoxy-2-methyl-1-[[4-(2-methyl-2-nitroso-1,3-dioxobutyl)phenyl]-oxomethyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-methoxy-2-methyl-1-[4-(2-methyl-2-nitroso-3-oxobutanoyl)benzoyl]indol-3-yl]acetic acid Traditional Name: 2-[1-[4-(3-keto-2-methyl-2-nitroso-butanoyl)benzoyl]-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)C(=O)C(C)(C(=O)C)N=O)C=CC(=C2)OC)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)C(=O)C(C)(C(=O)C)N=O)C=CC(=C2)OC)CC(=O)O

InChI

InChI=1S/C24H22N2O7/c1-13-18(12-21(28)29)19-11-17(33-4)9-10-20(19)26(13)23(31)16-7-5-15(6-8-16)22(30)24(3,25-32)14(2)27/h5-11H,12H2,1-4H3,(H,28,29)