6-(1-azanylpropoxycarbonyl)-4-(3-nitrophenyl)pyridine-3-carboxylic acid

Systemtic Name: 6-(1-azanylpropoxycarbonyl)-4-(3-nitrophenyl)pyridine-3-carboxylic acid Openeye Name: 6-(1-aminopropoxycarbonyl)-4-(3-nitrophenyl)pyridine-3-carboxylic acid CAS Name: 6-[1-aminopropoxy(oxo)methyl]-4-(3-nitrophenyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(1-aminopropoxycarbonyl)-4-(3-nitrophenyl)pyridine-3-carboxylic acid Traditional Name: 6-(1-aminopropoxycarbonyl)-4-(3-nitrophenyl)nicotinic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N)OC(=O)C1=NC=C(C(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(N)OC(=O)C1=NC=C(C(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H15N3O6/c1-2-14(17)25-16(22)13-7-11(12(8-18-13)15(20)21)9-4-3-5-10(6-9)19(23)24/h3-8,14H,2,17H2,1H3,(H,20,21)