methyl 4-(3-ethoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 4-(3-ethoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(3-ethoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-ethoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-ethoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-m-phenetyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)OC

InChI

InChI=1S/C17H20N2O5/c1-5-24-13-8-6-7-12(9-13)15-14(17(20)23-4)10(2)18-11(3)16(15)19(21)22/h6-9,15,18H,5H2,1-4H3