4-[2-[5,5-bis(3-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butan-1-amine

Systemtic Name: 4-[2-[5,5-bis(3-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butan-1-amine Openeye Name: 4-[2-[5,5-bis(3-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butan-1-amine CAS Name: 4-[2-[5,5-bis(3-nitrophenyl)pent-4-enyl]-5-pyrimidinyl]-1-butanamine IUPAC Name: 4-[2-[5,5-bis(3-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butan-1-amine Traditional Name: 4-[2-[5,5-bis(3-nitrophenyl)pent-4-enyl]pyrimidin-5-yl]butylamine Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CCCCC2=NC=C(C=N2)CCCCN)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CCCCC2=NC=C(C=N2)CCCCN)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4/c26-14-4-3-7-19-17-27-25(28-18-19)13-2-1-12-24(20-8-5-10-22(15-20)29(31)32)21-9-6-11-23(16-21)30(33)34/h5-6,8-12,15-18H,1-4,7,13-14,26H2