2-(4-azidobutyl)-5-ethanoyl-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-(4-azidobutyl)-5-ethanoyl-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-acetyl-2-(4-azidobutyl)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-acetyl-2-(4-azidobutyl)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-acetyl-2-(4-azidobutyl)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-acetyl-2-(4-azidobutyl)-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CCCCN=[N+]=[N-])C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)CCCCN=[N+]=[N-])C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C19H21N5O5/c1-11-16(12(2)25)17(13-6-8-14(9-7-13)24(28)29)18(19(26)27)15(22-11)5-3-4-10-21-23-20/h6-9,17,22H,3-5,10H2,1-2H3,(H,26,27)