2-azanyl-2-(furan-2-ylcarbonyl)-5-[(5-methyl-2-nitro-phenyl)amino]pentanoic acid

Systemtic Name: 2-azanyl-2-(furan-2-ylcarbonyl)-5-[(5-methyl-2-nitro-phenyl)amino]pentanoic acid Openeye Name: 2-amino-2-(furan-2-carbonyl)-5-(5-methyl-2-nitro-anilino)pentanoic acid CAS Name: 2-amino-2-[2-furanyl(oxo)methyl]-5-(5-methyl-2-nitroanilino)pentanoic acid IUPAC Name: 2-amino-2-(furan-2-carbonyl)-5-(5-methyl-2-nitroanilino)pentanoic acid Traditional Name: 2-amino-2-(2-furoyl)-5-(5-methyl-2-nitro-anilino)valeric acid Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCCC(C(=O)C2=CC=CO2)(C(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])NCCCC(C(=O)C2=CC=CO2)(C(=O)O)N

InChI

InChI=1S/C17H19N3O6/c1-11-5-6-13(20(24)25)12(10-11)19-8-3-7-17(18,16(22)23)15(21)14-4-2-9-26-14/h2,4-6,9-10,19H,3,7-8,18H2,1H3,(H,22,23)