2-azanyl-2-[3-[(5-methyl-2-nitro-phenyl)amino]propyl]-3-oxidanylidene-octanoic acid

Systemtic Name: 2-azanyl-2-[3-[(5-methyl-2-nitro-phenyl)amino]propyl]-3-oxidanylidene-octanoic acid Openeye Name: 2-amino-2-[3-(5-methyl-2-nitro-anilino)propyl]-3-oxo-octanoic acid CAS Name: 2-amino-2-[3-(5-methyl-2-nitroanilino)propyl]-3-oxooctanoic acid IUPAC Name: 2-amino-2-[3-(5-methyl-2-nitroanilino)propyl]-3-oxooctanoic acid Traditional Name: 2-amino-3-keto-2-[3-(5-methyl-2-nitro-anilino)propyl]caprylic acid Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(CCCNC1=C(C=CC(=C1)C)[N+](=O)[O-])(C(=O)O)N

Isomeric SMILES

CCCCCC(=O)C(CCCNC1=C(C=CC(=C1)C)[N+](=O)[O-])(C(=O)O)N

InChI

InChI=1S/C18H27N3O5/c1-3-4-5-7-16(22)18(19,17(23)24)10-6-11-20-14-12-13(2)8-9-15(14)21(25)26/h8-9,12,20H,3-7,10-11,19H2,1-2H3,(H,23,24)