2,6-bis(2-ethoxyethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-bis(2-ethoxyethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-bis(2-ethoxyethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-bis(2-ethoxyethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-bis(2-ethoxyethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-bis(2-ethoxyethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C21H26N2O8 MolecularWeight: 434.43974

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1=C(C(C(=C(N1)CCOCC)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOCCC1=C(C(C(=C(N1)CCOCC)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H26N2O8/c1-3-30-10-8-15-18(20(24)25)17(13-6-5-7-14(12-13)23(28)29)19(21(26)27)16(22-15)9-11-31-4-2/h5-7,12,17,22H,3-4,8-11H2,1-2H3,(H,24,25)(H,26,27)