5-nitro-2-(1-pyrrolidin-3-ylethyl)benzoic acid

Systemtic Name: 5-nitro-2-(1-pyrrolidin-3-ylethyl)benzoic acid Openeye Name: 5-nitro-2-(1-pyrrolidin-3-ylethyl)benzoic acid CAS Name: 5-nitro-2-[1-(3-pyrrolidinyl)ethyl]benzoic acid IUPAC Name: 5-nitro-2-(1-pyrrolidin-3-ylethyl)benzoic acid Traditional Name: 5-nitro-2-(1-pyrrolidin-3-ylethyl)benzoic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1CCNC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O4/c1-8(9-4-5-14-7-9)11-3-2-10(15(18)19)6-12(11)13(16)17/h2-3,6,8-9,14H,4-5,7H2,1H3,(H,16,17)