3-nitro-4-(2-pyrrolidin-1-ylethylamino)benzoic acid

Systemtic Name: 3-nitro-4-(2-pyrrolidin-1-ylethylamino)benzoic acid Openeye Name: 3-nitro-4-(2-pyrrolidin-1-ylethylamino)benzoic acid CAS Name: 3-nitro-4-[2-(1-pyrrolidinyl)ethylamino]benzoic acid IUPAC Name: 3-nitro-4-(2-pyrrolidin-1-ylethylamino)benzoic acid Traditional Name: 3-nitro-4-(2-pyrrolidinoethylamino)benzoic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CCNC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c17-13(18)10-3-4-11(12(9-10)16(19)20)14-5-8-15-6-1-2-7-15/h3-4,9,14H,1-2,5-8H2,(H,17,18)