3-azanylpropanenitrile; O5-ethyl O3-methyl 2-(ethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 3-azanylpropanenitrile; O5-ethyl O3-methyl 2-(ethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 3-aminopropanenitrile; O5-ethyl O3-methyl 2-(ethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 3-aminopropanenitrile; 2-[(ethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 3-aminopropanenitrile; 5-O-ethyl 3-O-methyl 2-(ethylsulfanylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 3-aminopropionitrile; 2-[(ethylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C23H30N4O6S MolecularWeight: 490.5725

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CSCC)C.C(CN)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CSCC)C.C(CN)C#N

InChI

InChI=1S/C20H24N2O6S.C3H6N2/c1-5-28-20(24)16-12(3)21-15(11-29-6-2)18(19(23)27-4)17(16)13-8-7-9-14(10-13)22(25)26;4-2-1-3-5/h7-10,17,21H,5-6,11H2,1-4H3;1-2,4H2