dipropan-2-yl 3-methanoyl-4-(nitromethyl)-2,3,4,4a,9,9a-hexahydrocarbazole-1,1-dicarboxylate

Systemtic Name: dipropan-2-yl 3-methanoyl-4-(nitromethyl)-2,3,4,4a,9,9a-hexahydrocarbazole-1,1-dicarboxylate Openeye Name: diisopropyl 3-formyl-4-(nitromethyl)-2,3,4,4a,9,9a-hexahydrocarbazole-1,1-dicarboxylate CAS Name: 3-formyl-4-(nitromethyl)-2,3,4,4a,9,9a-hexahydrocarbazole-1,1-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-formyl-4-(nitromethyl)-2,3,4,4a,9,9a-hexahydrocarbazole-1,1-dicarboxylate Traditional Name: 3-formyl-4-(nitromethyl)-2,3,4,4a,9,9a-hexahydrocarbazole-1,1-dicarboxylic acid diisopropyl ester Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1(CC(C(C2C1NC3=CC=CC=C23)C[N+](=O)[O-])C=O)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1(CC(C(C2C1NC3=CC=CC=C23)C[N+](=O)[O-])C=O)C(=O)OC(C)C

InChI

InChI=1S/C22H28N2O7/c1-12(2)30-20(26)22(21(27)31-13(3)4)9-14(11-25)16(10-24(28)29)18-15-7-5-6-8-17(15)23-19(18)22/h5-8,11-14,16,18-19,23H,9-10H2,1-4H3