5-azanyl-1-(4-imidazol-1-ylbutyl)-3,3-dimethyl-6-nitro-indol-2-one

Systemtic Name: 5-azanyl-1-(4-imidazol-1-ylbutyl)-3,3-dimethyl-6-nitro-indol-2-one Openeye Name: 5-amino-1-(4-imidazol-1-ylbutyl)-3,3-dimethyl-6-nitro-indolin-2-one CAS Name: 5-amino-1-[4-(1-imidazolyl)butyl]-3,3-dimethyl-6-nitro-2-indolone IUPAC Name: 5-amino-1-(4-imidazol-1-ylbutyl)-3,3-dimethyl-6-nitroindol-2-one Traditional Name: 5-amino-1-(4-imidazol-1-ylbutyl)-3,3-dimethyl-6-nitro-oxindole Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2N(C1=O)CCCCN3C=CN=C3)[N+](=O)[O-])N)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2N(C1=O)CCCCN3C=CN=C3)[N+](=O)[O-])N)C

InChI

InChI=1S/C17H21N5O3/c1-17(2)12-9-13(18)15(22(24)25)10-14(12)21(16(17)23)7-4-3-6-20-8-5-19-11-20/h5,8-11H,3-4,6-7,18H2,1-2H3