ethyl 2-methyl-4-(3-nitrophenyl)-4H-pyridine-1-carboxylate; phenylmethanamine

Systemtic Name: ethyl 2-methyl-4-(3-nitrophenyl)-4H-pyridine-1-carboxylate; phenylmethanamine Openeye Name: ethyl 2-methyl-4-(3-nitrophenyl)-4H-pyridine-1-carboxylate; phenylmethanamine CAS Name: 2-methyl-4-(3-nitrophenyl)-4H-pyridine-1-carboxylic acid ethyl ester; phenylmethanamine IUPAC Name: ethyl 2-methyl-4-(3-nitrophenyl)-4H-pyridine-1-carboxylate; phenylmethanamine Traditional Name: benzylamine; 2-methyl-4-(3-nitrophenyl)-4H-pyridine-1-carboxylic acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC(C=C1C)C2=CC(=CC=C2)[N+](=O)[O-].C1=CC=C(C=C1)CN

Isomeric SMILES

CCOC(=O)N1C=CC(C=C1C)C2=CC(=CC=C2)[N+](=O)[O-].C1=CC=C(C=C1)CN

InChI

InChI=1S/C15H16N2O4.C7H9N/c1-3-21-15(18)16-8-7-13(9-11(16)2)12-5-4-6-14(10-12)17(19)20;8-6-7-4-2-1-3-5-7/h4-10,13H,3H2,1-2H3;1-5H,6,8H2