2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-nitro-benzoic acid Openeye Name: 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-nitro-benzoic acid CAS Name: 2-[(1-ethyl-2-pyrrolidinyl)methylamino]-5-nitrobenzoic acid IUPAC Name: 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-nitrobenzoic acid Traditional Name: 2-[(1-ethylpyrrolidin-2-yl)methylamino]-5-nitro-benzoic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN1CCCC1CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H19N3O4/c1-2-16-7-3-4-11(16)9-15-13-6-5-10(17(20)21)8-12(13)14(18)19/h5-6,8,11,15H,2-4,7,9H2,1H3,(H,18,19)