5-(5-azanyl-3,3-dimethyl-6-nitro-2-oxidanylidene-indol-1-yl)pentanoic acid

Systemtic Name: 5-(5-azanyl-3,3-dimethyl-6-nitro-2-oxidanylidene-indol-1-yl)pentanoic acid Openeye Name: 5-(5-amino-3,3-dimethyl-6-nitro-2-oxo-indolin-1-yl)pentanoic acid CAS Name: 5-(5-amino-3,3-dimethyl-6-nitro-2-oxo-1-indolyl)pentanoic acid IUPAC Name: 5-(5-amino-3,3-dimethyl-6-nitro-2-oxoindol-1-yl)pentanoic acid Traditional Name: 5-(5-amino-2-keto-3,3-dimethyl-6-nitro-indolin-1-yl)valeric acid Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2N(C1=O)CCCCC(=O)O)[N+](=O)[O-])N)C

Isomeric SMILES

CC1(C2=CC(=C(C=C2N(C1=O)CCCCC(=O)O)[N+](=O)[O-])N)C

InChI

InChI=1S/C15H19N3O5/c1-15(2)9-7-10(16)12(18(22)23)8-11(9)17(14(15)21)6-4-3-5-13(19)20/h7-8H,3-6,16H2,1-2H3,(H,19,20)