2-(dipropylamino)-2-[(3-methoxycarbonyl-2-nitro-phenyl)methyl]propanedioic acid

Systemtic Name: 2-(dipropylamino)-2-[(3-methoxycarbonyl-2-nitro-phenyl)methyl]propanedioic acid Openeye Name: 2-(dipropylamino)-2-[(3-methoxycarbonyl-2-nitro-phenyl)methyl]propanedioic acid CAS Name: 2-(dipropylamino)-2-[(3-methoxycarbonyl-2-nitrophenyl)methyl]propanedioic acid IUPAC Name: 2-(dipropylamino)-2-[(3-methoxycarbonyl-2-nitrophenyl)methyl]propanedioic acid Traditional Name: 2-(3-carbomethoxy-2-nitro-benzyl)-2-(dipropylamino)malonic acid Formula: C18H24N2O8 MolecularWeight: 396.39176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC)(C(=O)O)C(=O)O

Isomeric SMILES

CCCN(CCC)C(CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC)(C(=O)O)C(=O)O

InChI

InChI=1S/C18H24N2O8/c1-4-9-19(10-5-2)18(16(22)23,17(24)25)11-12-7-6-8-13(15(21)28-3)14(12)20(26)27/h6-8H,4-5,9-11H2,1-3H3,(H,22,23)(H,24,25)