1-(2-azanylpropyl)-4-(3-nitrophenyl)-6-propyl-4H-pyridine-3-carboxylic acid

Systemtic Name: 1-(2-azanylpropyl)-4-(3-nitrophenyl)-6-propyl-4H-pyridine-3-carboxylic acid Openeye Name: 1-(2-aminopropyl)-4-(3-nitrophenyl)-6-propyl-4H-pyridine-3-carboxylic acid CAS Name: 1-(2-aminopropyl)-4-(3-nitrophenyl)-6-propyl-4H-pyridine-3-carboxylic acid IUPAC Name: 1-(2-aminopropyl)-4-(3-nitrophenyl)-6-propyl-4H-pyridine-3-carboxylic acid Traditional Name: 1-(2-aminopropyl)-4-(3-nitrophenyl)-6-propyl-4H-pyridine-3-carboxylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(C(=CN1CC(C)N)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(C(=CN1CC(C)N)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4/c1-3-5-14-9-16(13-6-4-7-15(8-13)21(24)25)17(18(22)23)11-20(14)10-12(2)19/h4,6-9,11-12,16H,3,5,10,19H2,1-2H3,(H,22,23)