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

Systemtic Name: 2-(4-azidobutyl)-5-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-(4-azidobutyl)-5-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-(4-azidobutyl)-5-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-(4-azidobutyl)-5-methoxycarbonyl-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-(4-azidobutyl)-5-carbomethoxy-6-methyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C19H21N5O6 MolecularWeight: 415.39994

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O6/c1-11-15(19(27)30-2)16(12-6-8-13(9-7-12)24(28)29)17(18(25)26)14(22-11)5-3-4-10-21-23-20/h6-9,16,22H,3-5,10H2,1-2H3,(H,25,26)