2-[1-ethyl-8-(2-methyl-2-nitroso-3-oxidanylidene-butanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-8-(2-methyl-2-nitroso-3-oxidanylidene-butanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]ethanoic acid Openeye Name: 2-[1-ethyl-8-(2-methyl-2-nitroso-3-oxo-butanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid CAS Name: 2-[1-ethyl-8-(2-methyl-2-nitroso-1,3-dioxobutyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid IUPAC Name: 2-[1-ethyl-8-(2-methyl-2-nitroso-3-oxobutanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid Traditional Name: 2-[1-ethyl-8-(3-keto-2-methyl-2-nitroso-butanoyl)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCC2=C1NC3=C2C=CC=C3C(=O)C(C)(C(=O)C)N=O)CC(=O)O

Isomeric SMILES

CCC1(CCCC2=C1NC3=C2C=CC=C3C(=O)C(C)(C(=O)C)N=O)CC(=O)O

InChI

InChI=1S/C21H24N2O5/c1-4-21(11-16(25)26)10-6-9-14-13-7-5-8-15(17(13)22-18(14)21)19(27)20(3,23-28)12(2)24/h5,7-8,22H,4,6,9-11H2,1-3H3,(H,25,26)