5-[cyclopropyl(propyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[cyclopropyl(propyl)amino]-2-nitro-benzoic acid Openeye Name: 5-[cyclopropyl(propyl)amino]-2-nitro-benzoic acid CAS Name: 5-[cyclopropyl(propyl)amino]-2-nitrobenzoic acid IUPAC Name: 5-[cyclopropyl(propyl)amino]-2-nitrobenzoic acid Traditional Name: 5-[cyclopropyl(propyl)amino]-2-nitro-benzoic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCN(C1CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O4/c1-2-7-14(9-3-4-9)10-5-6-12(15(18)19)11(8-10)13(16)17/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)