[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 7-nitrooxy-6,6-bis(nitrooxymethyl)-5-oxidanylidene-heptanoate

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 7-nitrooxy-6,6-bis(nitrooxymethyl)-5-oxidanylidene-heptanoate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 7-nitrooxy-6,6-bis(nitrooxymethyl)-5-oxo-heptanoate CAS Name: 7-nitrooxy-6,6-bis(nitrooxymethyl)-5-oxoheptanoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 7-nitrooxy-6,6-bis(nitrooxymethyl)-5-oxoheptanoate Traditional Name: 5-keto-7-nitrooxy-6,6-bis(nitrooxymethyl)enanthic acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C23H34N4O13 MolecularWeight: 574.53506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)CCCC(=O)C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)CCCC(=O)C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])C(C)C)OCCN(C)C

InChI

InChI=1S/C23H34N4O13/c1-16(2)18-12-19(17(3)11-20(18)36-10-9-24(4)5)40-22(29)8-6-7-21(28)23(13-37-25(30)31,14-38-26(32)33)15-39-27(34)35/h11-12,16H,6-10,13-15H2,1-5H3