2-dimethylaminoethyl 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-dimethylaminoethyl 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-dimethylaminoethyl 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-dibutoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-dimethylaminoethyl ester Formula: C26H40N3O7P MolecularWeight: 537.585461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN(C)C)C)C)OCCCC

Isomeric SMILES

CCCCOP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCN(C)C)C)C)OCCCC

InChI

InChI=1S/C26H40N3O7P/c1-7-9-15-35-37(33,36-16-10-8-2)25-20(4)27-19(3)23(26(30)34-17-14-28(5)6)24(25)21-12-11-13-22(18-21)29(31)32/h11-13,18,24,27H,7-10,14-17H2,1-6H3