1-(azepan-1-yl)-3-(3,6-dinitrocarbazol-9-yl)propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-(3,6-dinitrocarbazol-9-yl)propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-(3,6-dinitrocarbazol-9-yl)propan-2-ol CAS Name: 1-(1-azepanyl)-3-(3,6-dinitro-9-carbazolyl)-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-(3,6-dinitrocarbazol-9-yl)propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-(3,6-dinitrocarbazol-9-yl)propan-2-ol Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(CN2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)CC(CN2C3=C(C=C(C=C3)[N+](=O)[O-])C4=C2C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H24N4O5/c26-17(13-22-9-3-1-2-4-10-22)14-23-20-7-5-15(24(27)28)11-18(20)19-12-16(25(29)30)6-8-21(19)23/h5-8,11-12,17,26H,1-4,9-10,13-14H2