O3-ethyl O5-propan-2-yl 4-(2-decyl-6-methoxy-3,5-dinitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-propan-2-yl 4-(2-decyl-6-methoxy-3,5-dinitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-isopropyl 4-(2-decyl-6-methoxy-3,5-dinitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-decyl-6-methoxy-3,5-dinitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-propan-2-yl ester IUPAC Name: 3-O-ethyl 5-O-propan-2-yl 4-(2-decyl-6-methoxy-3,5-dinitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-decyl-6-methoxy-3,5-dinitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-isopropyl ester Formula: C31H45N3O9 MolecularWeight: 603.7037

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)C2C(=C(NC(=C2C(=O)OC(C)C)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)C2C(=C(NC(=C2C(=O)OC(C)C)C)C)C(=O)OCC

InChI

InChI=1S/C31H45N3O9/c1-8-10-11-12-13-14-15-16-17-22-23(33(37)38)18-24(34(39)40)29(41-7)27(22)28-25(30(35)42-9-2)20(5)32-21(6)26(28)31(36)43-19(3)4/h18-19,28,32H,8-17H2,1-7H3