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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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